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1006436-44-7 | 1H-Pyrazol-4-amine, 1-methyl-3-(trifluoromethyl)-
CAS No: 1006436-44-7 Catalog No: AG0002JW MDL No:MFCD04970058
Product Description
Catalog Number:
AG0002JW
Chemical Name:
1H-Pyrazol-4-amine, 1-methyl-3-(trifluoromethyl)-
CAS Number:
1006436-44-7
Molecular Formula:
C5H6F3N3
Molecular Weight:
165.1164
MDL Number:
MFCD04970058
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazol-4-amine
InChI:
InChI=1S/C5H6F3N3/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,9H2,1H3
InChI Key:
OHASPUNAEXVWEP-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.119g/mol
Monoisotopic Mass:
165.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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