Basic information
- CAS
42990-55-6- Standard SMILES
O=C(O)[C@H](Br)Cc1ccccc1- InChIKey
WDRSCFNERFONKU-MRVPVSSYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859163
Names & identifiers
- Preferred name
- (R)-2-Bromo-3-phenylpropionic acid
- IUPAC
- (2R)-2-bromo-3-phenylpropanoic acid
- English name
- (D)-1-BROMO-2-PHENYLPROPIONIC ACID
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
42990-55-6(R)-2-BROMO-3-PHENYLPROPIONIC ACIDDTXSID00471756RefChem:210877DTXCID10422572(2R)-2-BROMO-3-PHENYLPROPANOIC ACID(D)-2-Bromo-3-phenylpropionic Acid(R)-2-bromo-3-phenylpropanoic acidMFCD00210120(R)-2-Bromo-3-phenylpropionicacidBenzenepropanoic acid, a-bromo-, (aR)-3-Phenyl-2(R)-bromopropionic acid
Show more names
[R,(+)]-α-Bromohydrocinnamic acid(R)-.α.-Bromobenzenepropanoic acid(D)-1-BROMO-2-PHENYLPROPIONIC ACID(R)-2-BroMo-3-phenylpropionic acidtD-.alpha.-BroMo-.beta.-phenylpropioni
(R)-3-Phenyl-2-bromopropionic acid(R)-2-Bromo-3-phenyl-propionic acid(R)-.alpha.-Bromobenzenepropanoic acidD-.alpha.-Bromo-.beta.-phenylpropionic acidSCHEMBL4316458WDRSCFNERFONKU-MRVPVSSYSA-N(2R)-2-bromo-3-phenylpropionic acidAKOS030242103
Database identifiers
- CAS
42990-55-6- PubChem CID
- 11746403
- DTXSID
DTXSID00471756- Nikkaji
- J70.770H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 145 · 145-155°C
- Boiling point
- 301.639 · 301.639±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Thick Oil
- pka
- 2.82 · 2.820±0.10(predicted)
- color
- Clear Colourless
- CAS DataBase Reference
- 42990 · 42990-55-6
Chemistry & industry
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杭州东帆化学有限公司86-0571-85151182
无锡中坤生化科技有限公司+86 0510-85629785
HBCChem, Inc.+1-510-219-6317 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
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嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
19 records
Compound notes
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