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19968-20-8 | 1H-Pyrazole, 3,4,5-tris(trifluoromethyl)-
CAS No: 19968-20-8 Catalog No: AG002CAJ MDL No:MFCD22989471
Product Description
Catalog Number:
AG002CAJ
Chemical Name:
1H-Pyrazole, 3,4,5-tris(trifluoromethyl)-
CAS Number:
19968-20-8
Molecular Formula:
C6HF9N2
Molecular Weight:
272.0712
MDL Number:
MFCD22989471
IUPAC Name:
3,4,5-tris(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17)
InChI Key:
FTPCKDUEVYSIIY-UHFFFAOYSA-N
SMILES:
FC(c1c([nH]nc1C(F)(F)F)C(F)(F)F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.074g/mol
Monoisotopic Mass:
272g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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