Basic information
- CAS
1170133-64-8- Standard SMILES
COc1ccc(Cl)cc1-c1cccc(C(=O)O)c1- InChIKey
BLCXFSUTKOZWLS-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- 5'-Chloro-2'-methoxy-(1,1'-biphenyl)-3-carboxylic acid
- IUPAC
- 3-(5-chloro-2-methoxyphenyl)benzoic acid
Names & synonyms
5'-Chloro-2'-methoxy-[1,1'-biphenyl]-3-carboxylic acid5'-Chloro-2'-methoxy[1,1'-biphenyl]-3-carboxylic acid5'-Chloro-2'-methoxy(1,1'-biphenyl)-3-carboxylic acid5'-Chloro-2'-methoxy-(1,1'-biphenyl)-3-carboxylic acidRefChem:527476825-843-91170133-64-83-(5-chloro-2-methoxyphenyl)benzoic acidMFCD119322755'-Chloro-2'-methoxy-[1,1'-biphenyl]-3-carboxylicacidSCHEMBL2406330DTXSID50610512
Show more names
AKOS0058212693-(5-chloro-2-methoxy-phenyl)benzoic acidDB-0609463-(5-Chloro-2-methoxyphenyl)benzoic acid, 95%[1,1'-Biphenyl]-3-carboxylic acid, 5'-chloro-2'-methoxy-
Database identifiers
- CAS
1170133-64-8- PubChem CID
- 21072425
- DTXSID
DTXSID50610512- EC Number
- 825-843-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: 5'-chloro-2'-methoxy-[1,1'-biphenyl]-3-carboxylic acid (EC: 825-843-9)
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…