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

HCID 21990989
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Basic information

Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1OS(=O)(=O)C(F)(F)F
InChIKey
BUUQFBPODHATBT-UHFFFAOYSA-N
Molecular formula
C15H10F3NO5S
Average molar mass
373.3 g/mol

Names & identifiers

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

Names & synonyms

4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl trifluoromethanesulfonateSCHEMBL5832533

Database identifiers

PubChem CID
21990989

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
87 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
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Compound notes

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