Basic information
- CAS
1251354-98-9- Standard SMILES
COC(=O)C(Br)Cc1cc(C)cc(C)c1- InChIKey
JAJMYQBZYSIUGU-UHFFFAOYSA-N- Molecular formula
- C12H15BrO2
- Average molar mass
- 271.15 g/mol
- Monoisotopic mass
- 270.02554
Names & identifiers
- Preferred name
- Methyl 2-bromo-3-(3,5-dimethylphenyl)propanoate
- IUPAC
- methyl 2-bromo-3-(3,5-dimethylphenyl)propanoate
Names & synonyms
DTXSID101191520AKOS011682020methyl 2-bromo-3-(3,5-dimethylphenyl)propanoateBenzenepropanoic acid, I+/--bromo-3,5-dimethyl-, methyl ester1251354-98-9
Database identifiers
- CAS
1251354-98-9- PubChem CID
- 62394815
- DTXSID
DTXSID101191520
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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