6-Fluoro-2-(3-pyrrolidinylcarbonylphenyl)benzoic acid
Basic information
- CAS
1262010-88-7- Standard SMILES
O=C(O)c1c(F)cccc1-c1cccc(C(=O)N2CCCC2)c1- InChIKey
LDFBCGAVMGJCOJ-UHFFFAOYSA-N- Molecular formula
- C18H16FNO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11142153
Names & identifiers
- Preferred name
- 6-Fluoro-2-(3-pyrrolidinylcarbonylphenyl)benzoic acid
- IUPAC
- 2-fluoro-6-[3-(pyrrolidine-1-carbonyl)phenyl]benzoic acid
Names & synonyms
1262010-88-72-fluoro-6-[3-(pyrrolidine-1-carbonyl)phenyl]benzoic acidMFCD183227516-FLUORO-2-(3-PYRROLIDINYLCARBONYLPHENYL)BENZOIC ACIDDTXSID206921036-Fluoro-2-(3-pyrrolidinylcarbonylphenyl)benzoic acid, 95%3-Fluoro-3'-(pyrrolidine-1-carbonyl)[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1262010-88-7- PubChem CID
- 53228570
- DTXSID
DTXSID20692103
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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