Home Halogens 1H-Pyrazol-3-amine, 4-(4-chlorophenyl)-5-(trifluoromethyl)-

1H-Pyrazol-3-amine, 4-(4-chlorophenyl)-5-(trifluoromethyl)-

CAS No.:
63156-76-3
Catalog Number:
AG019UE0
Molecular Formula:
C10H7ClF3N3
Molecular Weight:
261.6309
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Product Description
Catalog Number:
AG019UE0
Chemical Name:
1H-Pyrazol-3-amine, 4-(4-chlorophenyl)-5-(trifluoromethyl)-
CAS Number:
63156-76-3
Molecular Formula:
C10H7ClF3N3
Molecular Weight:
261.6309
MDL Number:
MFCD09033909
IUPAC Name:
4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C10H7ClF3N3/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)16-17-9(7)15/h1-4H,(H3,15,16,17)
InChI Key:
FITRLOBMRVIWHK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(N)[nH]nc1C(F)(F)F
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.632g/mol
Monoisotopic Mass:
261.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties