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Home > Fluorides > 169213-78-9
169213-78-9 | 1H-Pyrazole-4-propanol, 3-(trifluoromethyl)-
CAS No: 169213-78-9 Catalog No: AG001YKU MDL No:MFCD00794530
Product Description
Catalog Number:
AG001YKU
Chemical Name:
1H-Pyrazole-4-propanol, 3-(trifluoromethyl)-
CAS Number:
169213-78-9
Molecular Formula:
C7H9F3N2O
Molecular Weight:
194.1544
MDL Number:
MFCD00794530
IUPAC Name:
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
InChI:
InChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12)
InChI Key:
MAJMCQXRRMHIEJ-UHFFFAOYSA-N
SMILES:
OCCCc1c[nH]nc1C(F)(F)F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.157g/mol
Monoisotopic Mass:
194.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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