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1226138-26-6 | 1H-Pyrazol-5-amine, 3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-
CAS No: 1226138-26-6 Catalog No: AG0017JC MDL No:MFCD16456095
Product Description
Catalog Number:
AG0017JC
Chemical Name:
1H-Pyrazol-5-amine, 3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-
CAS Number:
1226138-26-6
Molecular Formula:
C11H7F6N3
Molecular Weight:
295.1838
MDL Number:
MFCD16456095
IUPAC Name:
5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
InChI:
InChI=1S/C11H7F6N3/c12-10(13,14)6-1-3-7(4-2-6)20-9(18)5-8(19-20)11(15,16)17/h1-5H,18H2
InChI Key:
RRNJDOYPWXYQDY-UHFFFAOYSA-N
SMILES:
Nc1cc(nn1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.188g/mol
Monoisotopic Mass:
295.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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