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4-(4-Bromo-benzyloxy)-2-hydroxy-benzoic acid

HCID 10041845
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(OCc2ccc(Br)cc2)cc1O
InChIKey
DOCMJRQUOWWVSR-UHFFFAOYSA-N
Molecular formula
C14H11BrO4
Average molar mass
323.14 g/mol

Names & identifiers

Preferred name
4-(4-Bromo-benzyloxy)-2-hydroxy-benzoic acid
IUPAC
4-[(4-bromophenyl)methoxy]-2-hydroxybenzoic acid

Names & synonyms

4-(4-bromo-benzyloxy)-2-hydroxy-benzoic acidSCHEMBL3298441DOCMJRQUOWWVSR-UHFFFAOYSA-NAKOS0251370914-[(4-bromobenzyl)oxy]-2-hydroxybenzoic acid

Database identifiers

PubChem CID
10041845

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
302

Related reactions

2 records
New reaction record
HRID 18437 reaction equation
HRID 18437As reactantuspto-grants-2010_06
HRID 2335340 reaction equation
HRID 2335340As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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