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Basic information
- Standard SMILES
COc1ccc(CBr)cc1C(=O)OCc1ccccc1- InChIKey
KHBQVZCLLVNSHI-UHFFFAOYSA-N- Molecular formula
- C16H15BrO3
- Average molar mass
- 335.19 g/mol
- Monoisotopic mass
- 334.02046
Names & identifiers
- Preferred name
- Benzyl 5-bromomethyl-2-methoxybenzoate
- IUPAC
- benzyl 5-(bromomethyl)-2-methoxybenzoate
Names & synonyms
311771-67-2SCHEMBL6376171KHBQVZCLLVNSHI-UHFFFAOYSA-NBenzyl 5-bromomethyl-2-methoxybenzoateBenzoicacid,5-(bromomethyl)-2-methoxy-,phenylmethylesterBenzoic acid, 5-(bromomethyl)-2-methoxy-, phenylmethyl ester
Database identifiers
- PubChem CID
- 11638571
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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