Basic information
- Standard SMILES
O=C(Cl)C=Cc1ccc([N+](=O)[O-])cc1- InChIKey
RUPXNPWALFDXJD-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- 3-(4-nitrophenyl)prop-2-enoyl Chloride
- IUPAC
- 3-(4-nitrophenyl)prop-2-enoyl chloride
Names & synonyms
3-(4-nitrophenyl)prop-2-enoyl Chloride4-nitrocinnamoyl chloride22440-58-0SCHEMBL737053RUPXNPWALFDXJD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 319463
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 251
Related reactions
10 records
Compound notes
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