(4-Bromophenyl) 2-methylpropanoate
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Basic information
- CAS
104316-23-6- Standard SMILES
CC(C)C(=O)Oc1ccc(Br)cc1- InChIKey
RHQDHVMKCMJXFR-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
Names & identifiers
- Preferred name
- (4-Bromophenyl) 2-methylpropanoate
- IUPAC
- (4-bromophenyl) 2-methylpropanoate
- English name
- Propanoic acid, 2-Methyl-, 4-broMophenyl ester
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.1
Names & synonyms
SCHEMBL12616891AKOS0030427604-isobutyryloxybromobenzenePropanoic acid, 2-Methyl-, 4-broMophenyl ester
Database identifiers
- CAS
104316-23-6
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 277.6 · 277.6±23.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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