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1431968-11-4 | 3-(2,2-difluoroethoxy)-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CAS No: 1431968-11-4 Catalog No: AG01FK7D MDL No:
Product Description
Catalog Number:
AG01FK7D
Chemical Name:
3-(2,2-difluoroethoxy)-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431968-11-4
Molecular Formula:
C8H14ClF2N3O
Molecular Weight:
241.6661
IUPAC Name:
3-(2,2-difluoroethoxy)-1-propan-2-ylpyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C8H13F2N3O.ClH/c1-5(2)13-3-6(11)8(12-13)14-4-7(9)10;/h3,5,7H,4,11H2,1-2H3;1H
InChI Key:
XCJKGMGDBOJOQK-UHFFFAOYSA-N
SMILES:
FC(COc1nn(cc1N)C(C)C)F.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.667g/mol
Monoisotopic Mass:
241.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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