Basic information
- Standard SMILES
COC(=O)c1ccc(CBr)cc1O- InChIKey
NQNSXBHKFYZMRO-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(bromomethyl)-2-hydroxybenzoate
- IUPAC
- methyl 4-(bromomethyl)-2-hydroxybenzoate
Names & synonyms
methyl 4-(bromomethyl)-2-hydroxybenzoate83908-06-9Benzoic acid, 4-(bromomethyl)-2-hydroxy-, methyl esterMFCD28128389methyl 4bromomethylsalicylatemethyl 4-bromomethylsalicylatemethyl4-bromomethyl-salicylatemethyl 4-bromomethyl-salicylateSCHEMBL5058622NQNSXBHKFYZMRO-UHFFFAOYSA-NRMA-4162methyl 4-bromomethyl-2-hydroxybenzoate
Show more names
4-bromomethylsalicylic acid methyl estermethyl 4-bromomethyl--2-hydroxybenzoateAS-77348DA-32558methyl 4-(bromomethyl)-2-hydroxy-benzoateD935734-bromomethyl-2-hydroxy-benzoic acid methylester4-Bromomethyl-2-hydroxy-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 22556059
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
18 records
Compound notes
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