6-Benzoxazoleacetic acid, 2-(p-fluorophenyl)-alpha-methyl-
Basic information
- CAS
67031-45-2- Standard SMILES
CC(C(=O)O)c1ccc2nc(-c3ccc(F)cc3)oc2c1- InChIKey
FAABAGKZLZNWAC-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
- Monoisotopic mass
- 285.08012141
Names & identifiers
- Preferred name
- 6-Benzoxazoleacetic acid, 2-(p-fluorophenyl)-alpha-methyl-
- IUPAC
- 2-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]propanoic acid
- English name
- 2-(4-Fluorophenyl)-α-methyl-6-benzoxazoleacetic acid
- Molecular formula
- C16H12FNO3
- Molecular weight
- 285.27
Names & synonyms
67031-45-2BRN 10850632-(4-Fluorophenyl)-alpha-methyl-6-benzoxazoleacetic acid2-(p-Fluorophenyl)-alpha-methyl-6-benzoxazoleacetic acid6-BENZOXAZOLEACETIC ACID, 2-(p-FLUOROPHENYL)-alpha-METHYL-RefChem:3072482-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]propanoic acidCHEMBL3244452DTXSID809859222-(4-Fluorophenyl)-α-methyl-6-benzoxazoleacetic acid6-Benzoxazoleacetic acid, 2-(4-fluorophenyl)-α-methyl-
Database identifiers
- CAS
67031-45-2- PubChem CID
- 48905
- DTXSID
DTXSID80985922- ChEMBL
CHEMBL3244452- Nikkaji
- J67.870H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…