Basic information
- CAS
1072105-59-9- Standard SMILES
O[C@@H](CCl)c1ccc(F)c(Br)c1- InChIKey
IECKXRFHGQGGII-QMMMGPOBSA-N- Molecular formula
- C8H7BrClFO
- Average molar mass
- 253.49 g/mol
- Monoisotopic mass
- 251.93528
Names & identifiers
- Preferred name
- (R)-1-(3-Bromo-4-fluorophenyl)-2-chloroethanol
- IUPAC
- (1R)-1-(3-bromo-4-fluorophenyl)-2-chloroethanol
Names & synonyms
1072105-59-9(R)-1-(3-Bromo-4-fluorophenyl)-2-chloroethanolDTXSID901215677MFCD24346528AKOS021320603SY464416(1R)-1-(3-bromo-4-fluorophenyl)-2-chloroethan-1-ol(I+/-R)-3-Bromo-I+/--(chloromethyl)-4-fluorobenzenemethanol
Database identifiers
- CAS
1072105-59-9- PubChem CID
- 83000697
- DTXSID
DTXSID901215677
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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