3-Chloro-4-hydroxy-benzoic acid 2-methyl-butyl ester

HCID 23041682
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Basic information

Standard SMILES
CCC(C)COC(=O)c1ccc(O)c(Cl)c1
InChIKey
CLLGWDLMFOOTCH-UHFFFAOYSA-N
Molecular formula
C12H15ClO3
Average molar mass
242.7 g/mol

Names & identifiers

Preferred name
3-Chloro-4-hydroxy-benzoic acid 2-methyl-butyl ester
IUPAC
2-methylbutyl 3-chloro-4-hydroxybenzoate

Names & synonyms

SCHEMBL9437152CLLGWDLMFOOTCH-UHFFFAOYSA-N3-chloro-4-hydroxy-benzoic acid 2-methyl-butyl ester

Database identifiers

PubChem CID
23041682

Properties

Computed structural properties

XLogP
3.7
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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