Phosphoramidic acid, (3,5-dichloro-2-(trichloromethyl)-4-pyridinyl)-, dipropyl ester

HCID 188014

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Basic information

CAS: 62652-90-8
Standard SMILES: CCCOP(=O)(Nc1c(Cl)cnc(C(Cl)(Cl)Cl)c1Cl)OCCC
InChIKey: NAOYHFDREHRJHR-UHFFFAOYSA-N
Molecular formula: C12H16Cl5N2O3P
Average molar mass: 444.5 g/mol
Monoisotopic mass: 441.934118

Names & identifiers

Preferred name: Phosphoramidic acid, (3,5-dichloro-2-(trichloromethyl)-4-pyridinyl)-, dipropyl ester
IUPAC: 3,5-dichloro-N-dipropoxyphosphoryl-2-(trichloromethyl)pyridin-4-amine

Names & synonyms

62652-90-8Phosphoramidic acid, (3,5-dichloro-2-(trichloromethyl)-4-pyridinyl)-, dipropyl esterDTXSID20211712Dipropyl N-[3,5-dichloro-2-(trichloromethyl)pyridin-4-yl]phosphoramidate

Database identifiers

CAS: 62652-90-8
PubChem CID: 188014
DTXSID: DTXSID20211712

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 60.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 401

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