Basic information
- CAS
1538107-82-2- Standard SMILES
O=C(O)Cn1c(=O)oc2cccc(F)c21- InChIKey
HZKFAVKWGWULDF-UHFFFAOYSA-N- Molecular formula
- C9H6FNO4
- Average molar mass
- 211.15 g/mol
- Monoisotopic mass
- 211.02808583
Names & identifiers
- Preferred name
- 2-(4-Fluoro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetic acid
- IUPAC
- 2-(4-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Names & synonyms
1538107-82-22-(4-FLUORO-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)ACETIC ACID2-(4-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetic acidSCHEMBL18329422SCHEMBL29670897AKOS023491796EN300-1706934Z18131052852-(4-FLUORO-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)ACETICACID
Database identifiers
- CAS
1538107-82-2- PubChem CID
- 83754394
- EC Number
- 193-947-5
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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