3-(2-Chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Basic information
- CAS
196712-43-3- Standard SMILES
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(N)=O- InChIKey
MEIGOGSKIWSGEW-XVNBXDOJSA-N- Molecular formula
- C10H6ClN3O3
- Average molar mass
- 251.62 g/mol
- Monoisotopic mass
- 251.0097688
Names & identifiers
- Preferred name
- 3-(2-Chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
- IUPAC
- (E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
- English name
- 2-Propenamide, 3-(2-chloro-5-nitrophenyl)-2-cyano-
- Molecular formula
- C10H6ClN3O3
- Molecular weight
- 251.63
Names & synonyms
196712-43-33-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamideMLS001007451(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamideCHEMBL1494134DTXSID901324200HMS2732C13AKOS001073640SMR000352590EN300-1198878Z44298848(2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Show more names
2-CHLORO-ALPHA-CYANO-5-NITROCINNAMAMIDE2-Propenamide, 3-(2-chloro-5-nitrophenyl)-2-cyano-
Database identifiers
- CAS
196712-43-3- PubChem CID
- 736632
- DTXSID
DTXSID901324200- ChEMBL
CHEMBL1494134- Nikkaji
- J3.388.296C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility33.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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