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2-(4-Bromo-2-fluorophenyl)pyrimidine

HCID 57685702
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Fc1cc(Br)ccc1-c1ncccn1
InChIKey
OYXXGZPVXVAWDW-UHFFFAOYSA-N
Molecular formula
C10H6BrFN2
Average molar mass
253.07 g/mol

Names & identifiers

Preferred name
2-(4-Bromo-2-fluorophenyl)pyrimidine
IUPAC
2-(4-bromo-2-fluorophenyl)pyrimidine

Names & synonyms

2-(4-bromo-2-fluorophenyl)pyrimidineSCHEMBL1199245OYXXGZPVXVAWDW-UHFFFAOYSA-N2-(4-Bromo-2-fluoro-phenyl)-pyrimidineDB-4081821093063-71-8

Database identifiers

PubChem CID
57685702

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
185

Related reactions

2 records
New reaction record
HRID 96476 reaction equation
HRID 96476As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1038104 reaction equation
HRID 1038104As productuspto-grants-2013_10

Compound notes

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