Basic information
- CAS
86801-13-0- Standard SMILES
CCOC(=O)C(Cl)=NNc1ccccc1C(=O)O- InChIKey
MLTHCXNSNQIJBJ-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O4
- Average molar mass
- 270.67 g/mol
- Monoisotopic mass
- 270.0407345
Names & identifiers
- Preferred name
- Benzoic acid, 2-[(1-chloro-2-ethoxy-2-oxoethylidene)hydrazino]-
- IUPAC
- 2-[2-(1-chloro-2-ethoxy-2-oxoethylidene)hydrazinyl]benzoic acid
Names & synonyms
86801-13-0Benzoic acid, 2-[(1-chloro-2-ethoxy-2-oxoethylidene)hydrazino]-DTXSID303951382-[2-(1-Chloro-2-ethoxy-2-oxoethylidene)hydrazin-1-yl]benzoic acid
Database identifiers
- CAS
86801-13-0- PubChem CID
- 3693871
- DTXSID
DTXSID30395138
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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