2-[4-(Bromomethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazole

HCID 21990977
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Basic information

Standard SMILES
FC(F)(F)c1cc(-c2nc3ccccc3o2)ccc1CBr
InChIKey
YVEVAFDPHFWORW-UHFFFAOYSA-N
Molecular formula
C15H9BrF3NO
Average molar mass
356.14 g/mol

Names & identifiers

Preferred name
2-[4-(Bromomethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazole
IUPAC
2-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazole

Names & synonyms

2-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazoleSCHEMBL5833047

Database identifiers

PubChem CID
21990977

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

4 records
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Compound notes

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