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Isofenchlorfos

CAT: 0931-T25544-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25544-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3309-87-3
Target
Others
Related Pathways
Others
Bioactivity
Isofenchlorfos is used as an insecticide.
Smiles
O=P(OC)(OC)SC1=CC=C(Cl)C=C1
Molecular Formula
C8H10ClO3PS
Molecular Weight
252.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isofenchlorfos
CAS Number3309-87-3
PubChem CID76818
IUPAC Name1-chloro-4-dimethoxyphosphorylsulfanylbenzene
Molecular FormulaC8H10ClO3PS
Molecular Weight252.66
XLogP2.1
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
COP(=O)(OC)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H10ClO3PS/c1-11-13(10,12-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
MUPYMRJBEZFVMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isofenchlorfos
CAS: 3309-87-3
CID: 76818
Formula: C8H10ClO3PS
MW: 252.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.66
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass251.9776800
Monoisotopic Mass251.9776800
Topological Polar Surface Area60.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775269Isofenchlorfos

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