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1458593-82-2 | 1-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine hydrochloride
CAS No: 1458593-82-2 Catalog No: AG01FK7A MDL No:
Product Description
Catalog Number:
AG01FK7A
Chemical Name:
1-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine hydrochloride
CAS Number:
1458593-82-2
Molecular Formula:
C7H11ClF3N3O
Molecular Weight:
245.6299
IUPAC Name:
1-methyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C7H10F3N3O.ClH/c1-13-4-5(11)6(12-13)14-3-2-7(8,9)10;/h4H,2-3,11H2,1H3;1H
InChI Key:
VFOPURDOQIYATQ-UHFFFAOYSA-N
SMILES:
FC(CCOc1nn(cc1N)C)(F)F.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.63g/mol
Monoisotopic Mass:
245.054g/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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