5'-(1,3-Benzoxazol-2-yl)-2'-(bromomethyl)-1,1'-biphenyl-3-carbonitrile

HCID 21990971
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Basic information

Standard SMILES
N#Cc1cccc(-c2cc(-c3nc4ccccc4o3)ccc2CBr)c1
InChIKey
QFQXSAMRAIRWIO-UHFFFAOYSA-N
Molecular formula
C21H13BrN2O
Average molar mass
389.2 g/mol

Names & identifiers

Preferred name
5'-(1,3-Benzoxazol-2-yl)-2'-(bromomethyl)-1,1'-biphenyl-3-carbonitrile
IUPAC
3-[5-(1,3-benzoxazol-2-yl)-2-(bromomethyl)phenyl]benzonitrile

Names & synonyms

SCHEMBL5832591QFQXSAMRAIRWIO-UHFFFAOYSA-N5'-(1,3-benzoxazol-2-yl)-2'-(bromomethyl)-1,1'-biphenyl-3-carbonitrile

Database identifiers

PubChem CID
21990971

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
49.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
25

Related reactions

4 records
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Compound notes

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