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1147222-53-4 | 1H-Pyrazol-4-amine, 1-[(2-chloro-4-fluorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1147222-53-4 Catalog No: AG000F3X MDL No:MFCD04967257
Product Description
Catalog Number:
AG000F3X
Chemical Name:
1H-Pyrazol-4-amine, 1-[(2-chloro-4-fluorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1147222-53-4
Molecular Formula:
C10H10Cl2FN3
Molecular Weight:
262.1109
MDL Number:
MFCD04967257
IUPAC Name:
1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C10H9ClFN3.ClH/c11-10-3-8(12)2-1-7(10)5-15-6-9(13)4-14-15;/h1-4,6H,5,13H2;1H
InChI Key:
JGDBFTYVKMXVJU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)Cn1ncc(c1)N.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.109g/mol
Monoisotopic Mass:
261.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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