Basic information
- CAS
1016522-60-3- Standard SMILES
Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(F)c(F)c1- InChIKey
OLWFUWXJJSUUIG-UHFFFAOYSA-N- Molecular formula
- C15H11F2NO3
- Average molar mass
- 291.25 g/mol
- Monoisotopic mass
- 291.07069954
Names & identifiers
- Preferred name
- 3-[(3,4-Difluorobenzoyl)amino]-4-methylbenzoic acid
- IUPAC
- 3-[(3,4-difluorobenzoyl)amino]-4-methylbenzoic acid
Names & synonyms
3-[(3,4-difluorobenzoyl)amino]-4-methylbenzoic acidDTXSID801222338AKOS0001635981016522-60-33-(3,4-DIFLUOROBENZAMIDO)-4-METHYLBENZOIC ACID
Database identifiers
- CAS
1016522-60-3- PubChem CID
- 20121473
- DTXSID
DTXSID801222338
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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