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86979-38-6 | 2H-Tetrazole-2-methanol, 5-(trifluoromethyl)-
CAS No: 86979-38-6 Catalog No: AG004NXD MDL No:
Product Description
Catalog Number:
AG004NXD
Chemical Name:
2H-Tetrazole-2-methanol, 5-(trifluoromethyl)-
CAS Number:
86979-38-6
Molecular Formula:
C3H3F3N4O
Molecular Weight:
168.0773
IUPAC Name:
[5-(trifluoromethyl)tetrazol-2-yl]methanol
InChI:
InChI=1S/C3H3F3N4O/c4-3(5,6)2-7-9-10(1-11)8-2/h11H,1H2
InChI Key:
KJYIMLVUNJGMGI-UHFFFAOYSA-N
SMILES:
OCn1nnc(n1)C(F)(F)F
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.079g/mol
Monoisotopic Mass:
168.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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