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Methyl 4'-bromomethylbiphenyl-3-carboxylate

HCID 12019907
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cccc(-c2ccc(CBr)cc2)c1
InChIKey
DHHFWASLNXBHSQ-UHFFFAOYSA-N
Molecular formula
C15H13BrO2
Average molar mass
305.17 g/mol

Names & identifiers

Preferred name
Methyl 4'-bromomethylbiphenyl-3-carboxylate
IUPAC
methyl 3-[4-(bromomethyl)phenyl]benzoate

Names & synonyms

SCHEMBL259DHHFWASLNXBHSQ-UHFFFAOYSA-Nmethyl 4'-bromomethylbiphenyl-3-carboxylate

Database identifiers

PubChem CID
12019907

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
272

Related reactions

5 records
New reaction record
HRID 283263 reaction equation
HRID 283263As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 465787 reaction equation
HRID 465787As productuspto-grants-1992_10
HRID 466395 reaction equation
HRID 466395As productuspto-grants-1992_10
HRID 653880 reaction equation
HRID 653880As productuspto-grants-1992_07
HRID 847042 reaction equation
HRID 847042As productuspto-grants-1992_08

Compound notes

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