Basic information
- Standard SMILES
CC(C)=CC(=O)Oc1ccc(Br)cc1- InChIKey
RDOXILXISZRPFQ-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-but-2-enoic acid 4-bromo-phenyl ester
- IUPAC
- (4-bromophenyl) 3-methylbut-2-enoate
Names & synonyms
4-bromophenyl 3-methyl-2-butenoate3-Methyl-but-2-enoic acid 4-bromo-phenyl esterSCHEMBL5736870RDOXILXISZRPFQ-UHFFFAOYSA-NHMS1594P084-bromophenyl 3-methylbut-2-enoate(4-bromophenyl) 3,3-dimethylacrylateAKOS002256289(4-bromophenyl) 3,3-dimethyl-acrylateST50755114
Database identifiers
- PubChem CID
- 733797
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
35 records
Compound notes
Loading…