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Heptenophos

CAT: 0862-GW8820-500mgSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0862-GW8820-500mgSize:500 mg
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CAS Number
23560-59-0
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Heptenophos

Heptenophos is an organophosphate insecticide, an organochlorine compound and a trialkyl phosphate. It has a role as an acaricide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It derives from a hydride of a bicyclo[3.2.0]hepta-2,6-diene.

CAS Number23560-59-0
PubChem CID62773
IUPAC Name(7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate
Molecular FormulaC9H12ClO4P
Molecular Weight250.61
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity368
SMILES
COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
InChI
InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3
InChIKey
GBAWQJNHVWMTLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptenophos
CAS: 23560-59-0
CID: 62773
Formula: C9H12ClO4P
MW: 250.61
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight250.61
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass250.0161736
Monoisotopic Mass250.0161736
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-EC-00037Heptenophos
P876520Heptenophos [CAS:23560-59-0] 100 ug/ml in Acetonitrile

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