4-Bromo-3,5-diethoxybenzoic acid

HCID 57930987
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Basic information

Standard SMILES
CCOc1cc(C(=O)O)cc(OCC)c1Br
InChIKey
JNTZLNJZDRKPSU-UHFFFAOYSA-N
Molecular formula
C11H13BrO4
Average molar mass
289.12 g/mol

Names & identifiers

Preferred name
4-Bromo-3,5-diethoxybenzoic acid
IUPAC
4-bromo-3,5-diethoxybenzoic acid

Names & synonyms

4-bromo-3,5-diethoxybenzoic acid363166-41-0SCHEMBL7314854-bromo-3,5-diethoxybenzoicacidJNTZLNJZDRKPSU-UHFFFAOYSA-NDA-06420

Database identifiers

PubChem CID
57930987

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

6 records
New reaction record

Compound notes

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