3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
Basic information
- CAS
77158-85-1- Standard SMILES
O=C(O)C(=O)Cc1cccc(Cl)c1[N+](=O)[O-]- InChIKey
GOCKZCAEISJBQE-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO5
- Average molar mass
- 243.6 g/mol
- Monoisotopic mass
- 242.99345
Names & identifiers
- Preferred name
- 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
- IUPAC
- 3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid
Names & synonyms
77158-85-13-(3-chloro-2-nitrophenyl)-2-oxopropanoic acidNSC139986SCHEMBL11876486DTXSID60998414NSC-139986DS-0138083-(3-chloro-2-nitro-phenyl)-2-oxo-propanoic acid
Database identifiers
- CAS
77158-85-1- PubChem CID
- 284205
- DTXSID
DTXSID60998414
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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