Basic information
- CAS
18910-09-3- Standard SMILES
COc1ccc(CC(Br)C(=O)O)cc1- InChIKey
ISAPLOPEWUATKQ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 2-Bromo-3-(4-methoxyphenyl)propanoic acid
- IUPAC
- 2-bromo-3-(4-methoxyphenyl)propanoic acid
Names & synonyms
2-Bromo-3-(4-methoxyphenyl)propanoic acid18910-09-3DTXSID70295305RefChem:257019DTXCID20246443NSC101122NCIOpen2_006730SCHEMBL5748284ISAPLOPEWUATKQ-UHFFFAOYSA-NNSC-1011222-Bromo-3-(4-methoxyphenyl)propanoic acid #Hydrocinnamic acid, .alpha.-bromo-p-methohy-
Show more names
Propanoic acid, 2-bromo-3-(4-methoxyphenyl)-
Database identifiers
- CAS
18910-09-3- PubChem CID
- 265263
- DTXSID
DTXSID70295305
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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