Basic information
- Standard SMILES
CC(C(=O)O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
OFMRATGFXRRBBI-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO5
- Average molar mass
- 257.63 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-4-chloro-benzoyl-propionic acid
- IUPAC
- 3-(4-chloro-3-nitrophenyl)-2-methyl-3-oxopropanoic acid
Names & synonyms
SCHEMBL8684515OFMRATGFXRRBBI-UHFFFAOYSA-N4-chloro-3-nitrobenzoylpropionic acid3-nitro-4-chloro-benzoyl-propionic acid
Database identifiers
- PubChem CID
- 18917103
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Related reactions
3 records
Linked notes
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