Basic information
- CAS
104089-72-7- Standard SMILES
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1- InChIKey
RTDWPLYDMXBIEL-MDWZMJQESA-N- Molecular formula
- C15H9ClN2O2
- Average molar mass
- 284.69 g/mol
- Monoisotopic mass
- 284.0352552
Names & identifiers
- Preferred name
- m-Nitrobenzylidene-p-chlorophenylacetonitrile
- IUPAC
- (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
Names & synonyms
104089-72-7(2Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)acrylonitrilem-Nitrobenzylidene-p-chlorophenylacetonitrile(Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrileMFCD09763721(2Z)-2-(4-CHLOROPHENYL)-3-(3-NITROPHENYL)PROP-2-ENENITRILE(Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)acrylonitrilebenzeneacetonitrile, 4-chloro-alpha-[(3-nitrophenyl)methylene]-ALBB-024911AKOS003398989LS-08264CS-0335565
Show more names
H34845
Database identifiers
- CAS
104089-72-7- PubChem CID
- 698322
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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