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Basic information
- CAS
130721-79-8- Standard SMILES
O=C(O)c1ccc(F)c2[nH]c(=O)oc12- InChIKey
BQTRYRVFDLWWIO-UHFFFAOYSA-N- Molecular formula
- C8H4FNO4
- Average molar mass
- 197.12 g/mol
- Monoisotopic mass
- 197.01243583
Names & identifiers
- Preferred name
- 4-Fluoro-2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic acid
- IUPAC
- 4-fluoro-2-oxo-3H-1,3-benzoxazole-7-carboxylic acid
Names & synonyms
130721-79-84-Fluoro-2-oxo-2,3-dihydrobenzo[d]oxazole-7-carboxylic acid4-Fluoro-2,3-dihydro-2-oxo-7-benzoxazolecarboxylic acid4-fluoro-2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic acidSCHEMBL3525876BQTRYRVFDLWWIO-UHFFFAOYSA-NDTXSID6012044434-fluoro-1,3-benzoxazol-2-one-7-carboxylic acid
Database identifiers
- CAS
130721-79-8- PubChem CID
- 14690686
- DTXSID
DTXSID601204443
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Related reactions
3 records
Compound notes
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