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Monocrotophos Alphacypermethrin

HCID 6443376
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Basic information

CAS
118258-27-8
Standard SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1.CNC(=O)/C=C(\C)OP(=O)(OC)OC
InChIKey
NXZRWVJGJKGXIX-NBNCFDBRSA-N
Molecular formula
C29H33Cl2N2O8P
Average molar mass
639.5 g/mol
Monoisotopic mass
638.1351584

Names & identifiers

Preferred name
Monocrotophos Alphacypermethrin
IUPAC
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate;trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Names & synonyms

Monocrotophos Alphacypermethrinalpha-Cypermethrin mixt. with monocrotophos118258-27-8Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1alpha(S*),3alpha)-, mixt. with (E)-dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate

Database identifiers

CAS
118258-27-8
PubChem CID
6443376

Properties

Computed structural properties

Topological polar surface area
133 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
42
Formal charge
0
Complexity
911

Related reactions

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Compound notes

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