Basic information
- CAS
1426814-56-3- Standard SMILES
COC(=O)[C@H](Br)Cc1ccc(F)cc1- InChIKey
FNDLRZYMJAWLGJ-SECBINFHSA-N- Molecular formula
- C10H10BrFO2
- Average molar mass
- 261.09 g/mol
- Monoisotopic mass
- 259.98482
Names & identifiers
- Preferred name
- Benzenepropanoic acid, alpha-bromo-4-fluoro-, methyl ester, (alphaR)-
- IUPAC
- methyl (2R)-2-bromo-3-(4-fluorophenyl)propanoate
- English name
- Benzenepropanoic acid, α-bromo-4-fluoro-, methyl ester, (αR)-
- Molecular formula
- C10H10BrFO2
- Molecular weight
- 261.09
Names & synonyms
1426814-56-3RefChem:325148Benzenepropanoic acid, alpha-bromo-4-fluoro-, methyl ester, (alphaR)-METHYL (ALPHAR)-ALPHA-BROMO-4-FLUOROBENZENEPROPANOATEDTXSID501180280AS-96325G75211Methyl (|AR)-|A-bromo-4-fluorobenzenepropanoate(r)-methyl 2-bromo-3-(4-fluorophenyl)propanoateF551505methyl (2R)-2-bromo-3-(4-fluorophenyl)propanoateBenzenepropanoic acid, I+/--bromo-4-fluoro-, methyl ester, (I+/-R)-
Show more names
Methyl (αR)-α-bromo-4-fluorobenzenepropanoateBenzenepropanoic acid, α-bromo-4-fluoro-, methyl ester, (αR)-
Database identifiers
- CAS
1426814-56-3- PubChem CID
- 28811656
- DTXSID
DTXSID501180280
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 276.8 · 276.8±25.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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