Benzenamine, 4-[(4-nitrophenyl)ethynyl]-
Basic information
- CAS
7431-22-3- Standard SMILES
Nc1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
UVJKCOKIGXAEGP-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Benzenamine, 4-[(4-nitrophenyl)ethynyl]-
- IUPAC
- 4-[2-(4-nitrophenyl)ethynyl]aniline
Names & synonyms
benzenamine, 4-[(4-nitrophenyl)ethynyl]-4-[(4-nitrophenyl)ethynyl]aniline7431-22-34-amino-4'-nitrotolaneSCHEMBL5959613DTXSID303485034-(4-Nitro-phenylethynyl)-phenylamineInChI=1/C14H10N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h3-10H,15H
Database identifiers
- CAS
7431-22-3- PubChem CID
- 637883
- DTXSID
DTXSID30348503- Nikkaji
- J1.049.821J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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