Bendiocarb


PubChem CID 2314
Molecular Formula C11H13NO4
Structure Compound Image
Synonyms
bendiocarb
22781-23-3
Bencarbate
Ficam
Dycarb
Niomil
Ficam W
Multamat
Garvox
Turcam
Bendiocarbamate
Multimet
Rotate
Tattoo
Tatoo
Seedox 80W
Ficam D
Ficam ULV
Fisons NC 6897
Bendiocarbe
2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate
2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate
OMS-1394
1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate
CHEBI:34556
2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
2,3-Isopropylidene-dioxyphenyl methylcarbamate
Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester
QFH0ZU0A5U
2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate
2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate
1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-
DTXSID9032327
1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-
Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester
Carbamic acid, methyl-, 2,3-(dimethylmethylenedioxy)phenyl ester
Ficam 80W
2,2-dimethylbenzo[d][1,3]dioxol-4-yl methylcarbamate
2,3-Isopropylidenedioxyphenyl methylcarbamate
Ficam B
Ficam ulv' ul
Ficam Z
2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole
DTXCID7012327
Seedoxin
Sedox
Bendiocarbe [ISO-French]
Bendiocarb [ANSI:BSI:ISO]
CAS-22781-23-3
CCRIS 9062
HSDB 3918
EINECS 245-216-8
UNII-QFH0ZU0A5U
NC6897
RCRA waste no. U278
EPA Pesticide Chemical Code 105201
NC 6897
BRN 1315404
Fuam
AI3-27695
2,2-Dimethyl-1,3-benzodioxole-N-methylcarbamate
Garvox 3G
1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methyl carbamate
Ficam 80 W
Spectrum_001917
BENDIOCARB [MI]
SpecPlus_000548
Ficam plus (Salt/Mix)
BENDIOCARB [ISO]
Spectrum2_001726
Spectrum3_000854
Spectrum4_000694
Spectrum5_002026
BENDIOCARB [HSDB]
BENDIOCARB [MART.]
SCHEMBL22080
BSPBio_002467
KBioGR_001187
KBioSS_002459
SPECTRUM330063
MLS002695990
DivK1c_006644
SPBio_001772
CHEMBL465018
KBio1_001588
KBio2_002452
KBio2_005020
KBio2_007588
KBio3_001967
XEGGRYVFLWGFHI-UHFFFAOYSA-
GLXC-15987
HMS3087C14
Tox21_201562
Tox21_300777
BDBM50064618
CCG-39499
AKOS015888418
NCGC00094543-01
NCGC00094543-02
NCGC00094543-03
NCGC00094543-04
NCGC00094543-05
NCGC00094543-06
NCGC00094543-07
NCGC00254681-01
NCGC00259111-01
SMR000777869
DB-045987
NS00001535
Bendiocarb, PESTANAL(R), analytical standard
F21336
Q417017
J-014852
2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate #
2,2-dimethyl-2H-1,3-benzodioxol-4-yl N-methylcarbamate
carbamic acid, N-methyl-, 2,3-isopyridenyldioxyphenyl ester
InChI=1/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)

Computed Descriptors


IUPAC Name (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
SMILES CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
Canonical SMILES CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
InChI InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
InChIKey XEGGRYVFLWGFHI-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 223.22 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 223.084
Monoisotopic Mass 223.084
Topological Polar Surface Area 56.8
Heavy Atom Count 16
Formal Charge 0
Complexity 279
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • C471 - Enzyme Inhibitor
  • C47792 - Acetylcholinesterase Inhibitor|D010575 - Pesticides
  • D007306 - Insecticides|D016573 - Agrochemicals
  • 2 pairs of Verified P450 and Bendiocarb


    Insect Gene Symbol Validation Reference
    Anopheles funestus CYP6P9A E
    Anopheles funestus CYP6P9B E