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Home > Fluorides > 157590-69-7
157590-69-7 | 1H-Benzotriazole, 6-(trifluoromethoxy)-
CAS No: 157590-69-7 Catalog No: AG001PJ0 MDL No:
Product Description
Catalog Number:
AG001PJ0
Chemical Name:
1H-Benzotriazole, 6-(trifluoromethoxy)-
CAS Number:
157590-69-7
Molecular Formula:
C7H4F3N3O
Molecular Weight:
203.1214
IUPAC Name:
5-(trifluoromethoxy)-2H-benzotriazole
InChI:
InChI=1S/C7H4F3N3O/c8-7(9,10)14-4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)
InChI Key:
ZBKOEDPZYGOCAH-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)[nH]nn2)(F)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.124g/mol
Monoisotopic Mass:
203.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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