Basic information
- Standard SMILES
COc1ccccc1C(=O)NNC(=O)C(F)(F)c1ccc(C(=O)O)cc1- InChIKey
JSVIEFQVYZMASN-UHFFFAOYSA-N- Molecular formula
- C17H14F2N2O5
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.08707788
Names & identifiers
- Preferred name
- 4-{1,1-Difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acid
- IUPAC
- 4-[1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]benzoic acid
Names & synonyms
4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acidSCHEMBL2435154
Database identifiers
- PubChem CID
- 57541243
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 535
Related reactions
4 records
Compound notes
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