Basic information
- CAS
68516-50-7- Standard SMILES
O=CC=C(Cl)c1ccccc1[N+](=O)[O-]- InChIKey
IGKCDUQXBMHKHG-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- 2-Propenal, 3-chloro-3-(2-nitrophenyl)-
- IUPAC
- 3-chloro-3-(2-nitrophenyl)prop-2-enal
Names & synonyms
2-Propenal, 3-chloro-3-(2-nitrophenyl)-68516-50-7EINECS 271-157-23-Chloro-3-(2-nitrophenyl)-2-propenalDTXSID1071581RefChem:89209DTXCID7046047SCHEMBL28972901IGKCDUQXBMHKHG-UHFFFAOYSA-N
Database identifiers
- CAS
68516-50-7- PubChem CID
- 110409
- DTXSID
DTXSID1071581- EC Number
- 271-157-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenal, 3-chloro-3-(2-nitrophenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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