(S)-2-methylbutyl 2-chloro-4-hydroxybenzoate

HCID 14533552
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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

Related reactions

4 records
New reaction record

Linked notes

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