2,2',4,5,5'-Pentachloro-4'-methoxy-1,1'-biphenyl

HCID 22013531

Notes Reactions

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Basic information

CAS: 60082-98-6
Standard SMILES: COc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIKey: ASLFDTHUPXIGPF-UHFFFAOYSA-N
Molecular formula: C13H7Cl5O
Average molar mass: 356.5 g/mol
Monoisotopic mass: 353.89395324

Names & identifiers

Preferred name: 2,2',4,5,5'-Pentachloro-4'-methoxy-1,1'-biphenyl
IUPAC: 1,2,4-trichloro-5-(2,5-dichloro-4-methoxyphenyl)benzene

Names & synonyms

60082-98-6DTXSID406214902,2',4,5,5'-Pentachloro-4'-methoxy-1,1'-biphenylRefChem:241976DTXCID705722444-Methoxy-2,2',4',5,5'-pentachlorobiphenylSCHEMBL7897846ASLFDTHUPXIGPF-UHFFFAOYSA-N2,5,2',4',5'-Pentachloro-4-methoxybiphenyl

Database identifiers

CAS: 60082-98-6
PubChem CID: 22013531
DTXSID: DTXSID40621490
Nikkaji: J662.721H

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 303

Related reactions

3 records

New reaction record

HRID 1532545As productuspto-grants-2001_03

HRID 1735646As productuspto-grants-1996_07

HRID 1885516As productuspto-grants-1992_09

Compound notes

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