Basic information
- CAS
1262006-46-1- Standard SMILES
COc1ccc(F)c(-c2cc(N)cc(C(=O)O)c2)c1- InChIKey
QMQAYDHCGXBTIR-UHFFFAOYSA-N- Molecular formula
- C14H12FNO3
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.08012141
Names & identifiers
- Preferred name
- 3-Amino-5-(2-fluoro-5-methoxyphenyl)benzoic acid
- IUPAC
- 3-amino-5-(2-fluoro-5-methoxyphenyl)benzoic acid
Names & synonyms
1262006-46-13-AMINO-5-(2-FLUORO-5-METHOXYPHENYL)BENZOIC ACIDMFCD18320605DTXSID206901243-amino-5-(2-fluoro-5-methoxy-phenyl)benzoic acid3-Amino-5-(2-fluoro-5-methoxyphenyl)benzoic acid, 95%5-Amino-2'-fluoro-5'-methoxy[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1262006-46-1- PubChem CID
- 53226506
- DTXSID
DTXSID20690124
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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