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1365988-18-6 | 3-Phenyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CAS No: 1365988-18-6 Catalog No: AG01F8IR MDL No:
Product Description
Catalog Number:
AG01F8IR
Chemical Name:
3-Phenyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CAS Number:
1365988-18-6
Molecular Formula:
C11H10F3N3
Molecular Weight:
241.2124
IUPAC Name:
5-phenyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine
InChI:
InChI=1S/C11H10F3N3/c12-11(13,14)7-17-10(15)6-9(16-17)8-4-2-1-3-5-8/h1-6H,7,15H2
InChI Key:
GRUVVUBNDUYJAU-UHFFFAOYSA-N
SMILES:
Nc1cc(nn1CC(F)(F)F)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.217g/mol
Monoisotopic Mass:
241.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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