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Home > Fluorides > 1001020-13-8
1001020-13-8 | 1H-Pyrazole-4-methanol, 3-(trifluoromethyl)-
CAS No: 1001020-13-8 Catalog No: AG0000YP MDL No:MFCD16620670
Product Description
Catalog Number:
AG0000YP
Chemical Name:
1H-Pyrazole-4-methanol, 3-(trifluoromethyl)-
CAS Number:
1001020-13-8
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD16620670
IUPAC Name:
[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChI Key:
PPTPNGBNXZGCBT-UHFFFAOYSA-N
SMILES:
OCc1c[nH]nc1C(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:
0.2
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