Basic information
- CAS
55097-84-2- Standard SMILES
Oc1ccc(-c2ccc(Cl)cc2)cc1O- InChIKey
SCKSZDPELRSPES-UHFFFAOYSA-N- Molecular formula
- C12H9ClO2
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0291072
Overview
produced from 3-phenylcatechol by genetically engineered kanamycin-resistant E coli HB101
Names & identifiers
- Preferred name
- 4'-Chloro-3,4-dihydroxybiphenyl
- IUPAC
- 4-(4-chlorophenyl)benzene-1,2-diol
- English name
- 1,2-dihydroxy-4'-chlorobiphenyl
- Molecular formula
- C12H9ClO2
- Molecular weight
- 220.65
Names & synonyms
1,2-Dihydroxy-4'-chlorobiphenyl55097-84-2DHCB4'-Chloro-3,4-dihydroxybiphenylDTXSID60203616RefChem:911732DTXCID901261074-(4-chlorophenyl)benzene-1,2-diolCHEMBL5418840(1,1'-Biphenyl)-3,4-diol, 4'-chloro-SCHEMBL295631423',4'-dihydroxy-4-chlorobiphenyl
Show more names
4'-Chloro-1,1'-biphenyl-3,4-diol[1,1'-Biphenyl]-3,4-diol, 4'-chloro-
BDBM506249224'-Chloro[1,1'-biphenyl]-3,4-diolDB-009487
Database identifiers
- CAS
55097-84-2- PubChem CID
- 108673
- DTXSID
DTXSID60203616- ChEMBL
CHEMBL5418840- Nikkaji
- J146.415I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Chemistry & industry
Suppliers1 total
SYNCHEM-OHG[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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