Basic information
- CAS
18910-19-5- Standard SMILES
CC(=O)c1ccc(CC(Br)C(=O)O)cc1- InChIKey
OTXNYZKECLXPSN-UHFFFAOYSA-N- Molecular formula
- C11H11BrO3
- Average molar mass
- 271.11 g/mol
- Monoisotopic mass
- 269.98916
Names & identifiers
- Preferred name
- 3-(4-Acetylphenyl)-2-bromopropanoic acid
- IUPAC
- 3-(4-acetylphenyl)-2-bromopropanoic acid
- English name
- 4-Acetyl-alfa-bromohydrocinnamicacid
- Molecular formula
- C11H11BrO3
- Molecular weight
- 271.109
Names & synonyms
3-(4-acetylphenyl)-2-bromopropanoic acid18910-19-5Benzenepropanoic acid, 4-acetyl-alpha-bromo-NSC101130NCIOpen2_006770SCHEMBL2559396DTXSID00295313OTXNYZKECLXPSN-UHFFFAOYSA-NAKOS015917365NSC-1011303-(4-acetyl-phenyl)-2-bromo-propionic acid4-Acetyl-alfa-bromohydrocinnamicacid
Show more names
Benzenepropanoic acid, 4-acetyl-α-bromo-Benzenepropanoic acid, 4-acetyl-a-broMo-
Database identifiers
- CAS
18910-19-5- PubChem CID
- 265271
- DTXSID
DTXSID00295313
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 152 · 152-156 °C
- Boiling point
- 389.5 · 389.5±32.0 °C(Predicted)
- Density
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
围场满族蒙古族自治县元合生物技术研发有限公司0314-7886310 18830416512 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
2 records
Compound notes
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