Basic information
- CAS
329934-30-7- Standard SMILES
Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1Cl- InChIKey
OWYHMBLBIOVPQW-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O2
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0509053
Names & identifiers
- Preferred name
- (3-Chloro-4-methyl-phenyl)-(4-nitro-benzylidene)-amine
- IUPAC
- N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
- English name
- (3-Chloro-4-methyl-phenyl)-(4-nitro-benzylidene)-amine
- Molecular formula
- C14H11ClN2O2
- Molecular weight
- 274.7
Names & synonyms
AKOS024274998ST009612(1E)-1-(3-chloro-4-methylphenyl)-2-(4-nitrophenyl)-1-azaethene(3-CHLORO-4-METHYL-PHENYL)-(4-NITRO-BENZYLIDENE)-AMINEBenzenamine, 3-chloro-4-methyl-N-[(4-nitrophenyl)methylene]-
Database identifiers
- CAS
329934-30-7- PubChem CID
- 690795
- EC Number
- 141-534-5
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 450.395 · 450.395±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.251 · 1.251±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.052 · 1.052±0.50(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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