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71-98-7 | Phosphoric acid, 2,2-dichlorovinyl dipropyl ester
CAS No: 71-98-7 Catalog No: AG005EBS MDL No:
Product Description
Catalog Number:
AG005EBS
Chemical Name:
Phosphoric acid, 2,2-dichlorovinyl dipropyl ester
CAS Number:
71-98-7
Molecular Formula:
C8H15Cl2O4P
Molecular Weight:
277.0821
IUPAC Name:
2,2-dichloroethenyl dipropyl phosphate
InChI:
InChI=1S/C8H15Cl2O4P/c1-3-5-12-15(11,13-6-4-2)14-7-8(9)10/h7H,3-6H2,1-2H3
InChI Key:
OBUPKOWLJDGPFA-UHFFFAOYSA-N
SMILES:
CCCOP(=O)(OC=C(Cl)Cl)OCCC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.078g/mol
Monoisotopic Mass:
276.009g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Biosensor detection of neuropathy target esterase in whole blood as a biomarker of exposure to neuropathic organophosphorus compounds. | Journal of toxicology and environmental health. Part A 20030411 |
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