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Home > Fluorides > 140647-19-4
140647-19-4 | 1H-Pyrazole, 1-phenyl-3,5-bis(trifluoromethyl)-
CAS No: 140647-19-4 Catalog No: AG001CN6 MDL No:MFCD00153671
Product Description
Catalog Number:
AG001CN6
Chemical Name:
1H-Pyrazole, 1-phenyl-3,5-bis(trifluoromethyl)-
CAS Number:
140647-19-4
Molecular Formula:
C11H6F6N2
Molecular Weight:
280.1692
MDL Number:
MFCD00153671
IUPAC Name:
1-phenyl-3,5-bis(trifluoromethyl)pyrazole
InChI:
InChI=1S/C11H6F6N2/c12-10(13,14)8-6-9(11(15,16)17)19(18-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
IYNLHYNHSRWJHI-UHFFFAOYSA-N
SMILES:
FC(c1cc(nn1c1ccccc1)C(F)(F)F)(F)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.173g/mol
Monoisotopic Mass:
280.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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