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1431962-40-1 | 3-(2,4-difluorophenoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CAS No: 1431962-40-1 Catalog No: AG01FK1U MDL No:
Product Description
Catalog Number:
AG01FK1U
Chemical Name:
3-(2,4-difluorophenoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431962-40-1
Molecular Formula:
C10H10ClF2N3O
Molecular Weight:
261.6557
IUPAC Name:
3-(2,4-difluorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C10H9F2N3O.ClH/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12;/h2-5H,13H2,1H3;1H
InChI Key:
XGGSAJFVILSJNV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)Oc1nn(cc1N)C.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.657g/mol
Monoisotopic Mass:
261.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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