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1431962-34-3 | 1-(propan-2-yl)-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine hydrochloride
CAS No: 1431962-34-3 Catalog No: AG01FK47 MDL No:
Product Description
Catalog Number:
AG01FK47
Chemical Name:
1-(propan-2-yl)-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431962-34-3
Molecular Formula:
C8H13ClF3N3O
Molecular Weight:
259.6565
IUPAC Name:
1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C8H12F3N3O.ClH/c1-5(2)14-3-6(12)7(13-14)15-4-8(9,10)11;/h3,5H,4,12H2,1-2H3;1H
InChI Key:
IAZMBFVPZJTXNN-UHFFFAOYSA-N
SMILES:
CC(n1nc(c(c1)N)OCC(F)(F)F)C.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.657g/mol
Monoisotopic Mass:
259.07g/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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