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Home > Fluorides > 188838-49-5
188838-49-5 | 1H-Pyrazole, 3-ethyl-5-(1,1,2,2-tetrafluoroethyl)-
CAS No: 188838-49-5 Catalog No: AG002HE1 MDL No:
Product Description
Catalog Number:
AG002HE1
Chemical Name:
1H-Pyrazole, 3-ethyl-5-(1,1,2,2-tetrafluoroethyl)-
CAS Number:
188838-49-5
Molecular Formula:
C7H8F4N2
Molecular Weight:
196.1454
IUPAC Name:
5-ethyl-3-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
InChI:
InChI=1S/C7H8F4N2/c1-2-4-3-5(13-12-4)7(10,11)6(8)9/h3,6H,2H2,1H3,(H,12,13)
InChI Key:
HFJIQZDAPQQXMH-UHFFFAOYSA-N
SMILES:
CCc1cc([nH]n1)C(C(F)F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.149g/mol
Monoisotopic Mass:
196.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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