Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3CBr)c2)c(C)c1- InChIKey
YVMTWQFQZUJMRC-UHFFFAOYSA-N- Molecular formula
- C24H20BrF3O3
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 492.05479
Names & identifiers
- Preferred name
- Methyl 2''-(bromomethyl)-4'-methoxy-2-methyl-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylate
- IUPAC
- methyl 4-[3-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-3-methylbenzoate
Names & synonyms
methyl 2''-(bromomethyl)-4'-methoxy-2-methyl-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylateSCHEMBL1529127
Database identifiers
- PubChem CID
- 57544358
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
15 records
Compound notes
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