4-(1,3-Benzoxazol-2-yl)-2-cyanophenyl trifluoromethanesulfonate

HCID 21990967
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Basic information

Standard SMILES
N#Cc1cc(-c2nc3ccccc3o2)ccc1OS(=O)(=O)C(F)(F)F
InChIKey
CRNLFZCGVZCHBS-UHFFFAOYSA-N
Molecular formula
C15H7F3N2O4S
Average molar mass
368.3 g/mol

Names & identifiers

Preferred name
4-(1,3-Benzoxazol-2-yl)-2-cyanophenyl trifluoromethanesulfonate
IUPAC
[4-(1,3-benzoxazol-2-yl)-2-cyanophenyl] trifluoromethanesulfonate

Names & synonyms

4-(1,3-benzoxazol-2-yl)-2-cyanophenyl trifluoromethanesulfonateSCHEMBL5832376

Database identifiers

PubChem CID
21990967

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
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Compound notes

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