Basic information
- CAS
18910-11-7- Standard SMILES
O=C(O)C(Br)Cc1cccc([N+](=O)[O-])c1- InChIKey
GOLFLVGUAVKJIC-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO4
- Average molar mass
- 274.07 g/mol
- Monoisotopic mass
- 272.96367
Names & identifiers
- Preferred name
- 2-Bromo-3-(3-nitrophenyl)propanoic acid
- IUPAC
- 2-bromo-3-(3-nitrophenyl)propanoic acid
Names & synonyms
18910-11-72-bromo-3-(3-nitrophenyl)propanoic acidNSC101124SCHEMBL27887756DTXSID90295307NSC-101124
Database identifiers
- CAS
18910-11-7- PubChem CID
- 265265
- DTXSID
DTXSID90295307
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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