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1458615-97-8 | 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazol-4-amine hydrochloride
CAS No: 1458615-97-8 Catalog No: AG01FJYJ MDL No:
Product Description
Catalog Number:
AG01FJYJ
Chemical Name:
1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazol-4-amine hydrochloride
CAS Number:
1458615-97-8
Molecular Formula:
C11H11ClF3N3O
Molecular Weight:
293.6727
IUPAC Name:
1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C11H10F3N3O.ClH/c12-11(13,14)8-2-1-3-10(4-8)18-7-17-6-9(15)5-16-17;/h1-6H,7,15H2;1H
InChI Key:
FRUUQNQCGZPQAW-UHFFFAOYSA-N
SMILES:
Nc1cnn(c1)COc1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.674g/mol
Monoisotopic Mass:
293.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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