(S)-2-methylbutyl 2-chloro-4-hydroxybenzoate
Basic information
- Standard SMILES
CC[C@H](C)COC(=O)c1ccc(O)cc1Cl- InChIKey
ZDALYNBQZWTPCH-QMMMGPOBSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- (S)-2-methylbutyl 2-chloro-4-hydroxybenzoate
- IUPAC
- [(2S)-2-methylbutyl] 2-chloro-4-hydroxybenzoate
Names & synonyms
SCHEMBL9626568ZDALYNBQZWTPCH-QMMMGPOBSA-N(S)-2-methylbutyl 2-chloro-4-hydroxybenzoate
Database identifiers
- PubChem CID
- 14533552
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
4 records
Compound notes
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