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Home > Fluorides > 1197229-44-9
1197229-44-9 | 2-(4-methyl-1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline hydrochloride
CAS No: 1197229-44-9 Catalog No: AG01FK0E MDL No:
Product Description
Catalog Number:
AG01FK0E
Chemical Name:
2-(4-methyl-1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline hydrochloride
CAS Number:
1197229-44-9
Molecular Formula:
C11H11ClF3N3
Molecular Weight:
277.6733
IUPAC Name:
2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
InChI:
InChI=1S/C11H10F3N3.ClH/c1-7-5-16-17(6-7)10-3-2-8(4-9(10)15)11(12,13)14;/h2-6H,15H2,1H3;1H
InChI Key:
YQDGVYGNWFNGDW-UHFFFAOYSA-N
SMILES:
Cc1cnn(c1)c1ccc(cc1N)C(F)(F)F.Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.675g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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