[1,1'-Biphenyl]-2-carboxylicacid, 2'-chloro-4'-nitro-
Basic information
- CAS
26690-08-4- Standard SMILES
O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1Cl- InChIKey
IYCATCVOBXQDBX-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO4
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 277.0141854
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2-carboxylicacid, 2'-chloro-4'-nitro-
- IUPAC
- 2-(2-chloro-4-nitrophenyl)benzoic acid
Names & synonyms
26690-08-4MLS002920146[1,1'-Biphenyl]-2-carboxylicacid, 2'-chloro-4'-nitro-NSC132247DTXSID60949507NSC-132247SMR0017977432'-Chloro-4'-nitro[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
26690-08-4- PubChem CID
- 280501
- DTXSID
DTXSID60949507
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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