Basic information
- CAS
130689-91-7- Standard SMILES
COc1c(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl- InChIKey
QJMXVNDSPJWXGQ-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 353.893953
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 3,3',4,5,5'-pentachloro-4'-methoxy-
- IUPAC
- 1,2,3-trichloro-5-(3,5-dichloro-4-methoxyphenyl)benzene
Names & synonyms
1,1'-Biphenyl, 3,3',4,5,5'-pentachloro-4'-methoxy-130689-91-73,3',4,5,5'-Pentachloro-4'-methoxybiphenyl3,3',4,5,5'-pentachloro-4'-methoxy-1,1'-biphenylDTXSID30156680
Database identifiers
- CAS
130689-91-7- PubChem CID
- 183000
- DTXSID
DTXSID30156680- Nikkaji
- J662.723D
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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