(2R,3S)-2,3-dibromo-3-phenylpropanoic acid
Basic information
- CAS
31357-31-0- Standard SMILES
O=C(O)[C@@H](Br)[C@@H](Br)c1ccccc1- InChIKey
FXJWTHBNVZNQQP-YUMQZZPRSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- (2R,3S)-2,3-dibromo-3-phenylpropanoic acid
- IUPAC
- (2R,3S)-2,3-dibromo-3-phenylpropanoic acid
Names & synonyms
(2R,3S)-2,3-dibromo-3-phenylpropanoic acidDTXSID10953396(r,s)-2,3-dibromo-3-phenylpropanoic acidrel-(2R,3S)a2,3aDibromoa3aphenylpropanoic acid
Database identifiers
- CAS
31357-31-0- PubChem CID
- 6994572
- DTXSID
DTXSID10953396- Nikkaji
- J355.403A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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