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Phoxim O,O-diisopropyl phosphate

HCID 6507252
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Basic information

CAS
32791-96-1
Standard SMILES
CC(C)OP(=O)(O/N=C(/C#N)c1ccccc1)OC(C)C
InChIKey
ZGWHANJBJFFFBS-PEZBUJJGSA-N
Molecular formula
C14H19N2O4P
Average molar mass
310.28 g/mol
Monoisotopic mass
310.10824409

Names & identifiers

Preferred name
Phoxim O,O-diisopropyl phosphate
IUPAC
[(E)-[cyano(phenyl)methylidene]amino] dipropan-2-yl phosphate

Names & synonyms

Phoxim O,O-diisopropyl phosphate32791-96-1RefChem:1095549Phenylglyoxylonitrile oxime diisopropyl phosphateBRN 2999645Glyoxylonitrile, phenyl-, oxime, diisopropyl phosphate

Database identifiers

CAS
32791-96-1
PubChem CID
6507252

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
80.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
433

Experimental & physicochemical properties

LogP0.06

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