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Home > Fluorides > 169213-73-4
169213-73-4 | 1H-Pyrazole-3-methanol, 5-(trifluoromethyl)-
CAS No: 169213-73-4 Catalog No: AG001YKV MDL No:MFCD16620694
Product Description
Catalog Number:
AG001YKV
Chemical Name:
1H-Pyrazole-3-methanol, 5-(trifluoromethyl)-
CAS Number:
169213-73-4
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD16620694
IUPAC Name:
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-3(2-11)9-10-4/h1,11H,2H2,(H,9,10)
InChI Key:
KUVPCLYQVMRTPU-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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