(1,1,3-Trichloro-3-phenylpropyl)phosphonic dichloride

HCID 21399673

Notes Reactions

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Basic information

CAS: 39950-67-9
Standard SMILES: O=P(Cl)(Cl)C(Cl)(Cl)CC(Cl)c1ccccc1
InChIKey: RECWQYRNTWMXOI-UHFFFAOYSA-N
Molecular formula: C9H8Cl5OP
Average molar mass: 340.4 g/mol
Monoisotopic mass: 337.87553991

Names & identifiers

Preferred name: (1,1,3-Trichloro-3-phenylpropyl)phosphonic dichloride
IUPAC: (1,3,3-trichloro-3-dichlorophosphorylpropyl)benzene

Names & synonyms

39950-67-9(1,1,3-Trichloro-3-phenylpropyl)phosphonic dichlorideSCHEMBL11671254DTXSID20613116RECWQYRNTWMXOI-UHFFFAOYSA-N1,1,3-trichloro-3-phenyl-propane-1-phosphonic dichloride

Database identifiers

CAS: 39950-67-9
PubChem CID: 21399673
DTXSID: DTXSID20613116

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 271

Related reactions

3 records

New reaction record

HRID 1438899As productuspto-grants-1977_11

HRID 1438905As productuspto-grants-1977_11

HRID 2147881As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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