Basic information
- CAS
31061-81-1- Standard SMILES
O=C(NN=Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
UDQISSHIEPUOLJ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0559907
Names & identifiers
- Preferred name
- N-(benzylideneamino)-4-chlorobenzamide
- IUPAC
- N-(benzylideneamino)-4-chlorobenzamide
- English name
- Benzoic acid,4-chloro-, 2-(phenylmethylene)hydrazide
- Molecular formula
- C14H11ClN2O
- Molecular weight
- 258.7
Names & synonyms
31061-81-1n'-benzylidene-4-chlorobenzohydrazideSCHEMBL28484762DTXSID70953170AKOS016195530Benzoic acid,4-chloro-, 2-(phenylmethylene)hydrazide
Database identifiers
- CAS
31061-81-1- PubChem CID
- 287902
- DTXSID
DTXSID70953170
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Density
- 1.192 · 1.192±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.916 · 11.916±0.46(predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…