2-Pivaloyloxy-5-bromo-6-methylbenzoic acid

HCID 23293234
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Basic information

Standard SMILES
Cc1c(Br)ccc(OC(=O)C(C)(C)C)c1C(=O)O
InChIKey
GHMFFRSLEWJXCA-UHFFFAOYSA-N
Molecular formula
C13H15BrO4
Average molar mass
315.16 g/mol

Names & identifiers

Preferred name
2-Pivaloyloxy-5-bromo-6-methylbenzoic acid
IUPAC
3-bromo-6-(2,2-dimethylpropanoyloxy)-2-methylbenzoic acid

Names & synonyms

SCHEMBL7112107GHMFFRSLEWJXCA-UHFFFAOYSA-N2-Pivaloyloxy-5-bromo-6-methylbenzoic acid

Database identifiers

PubChem CID
23293234

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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