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1248501-80-5 | 1H-Pyrazole-3,5-diamine, 1-(4-fluorophenyl)-
CAS No: 1248501-80-5 Catalog No: AG000MSU MDL No:MFCD14607847
Product Description
Catalog Number:
AG000MSU
Chemical Name:
1H-Pyrazole-3,5-diamine, 1-(4-fluorophenyl)-
CAS Number:
1248501-80-5
Molecular Formula:
C9H9FN4
Molecular Weight:
192.1930
MDL Number:
MFCD14607847
IUPAC Name:
1-(4-fluorophenyl)pyrazole-3,5-diamine
InChI:
InChI=1S/C9H9FN4/c10-6-1-3-7(4-2-6)14-9(12)5-8(11)13-14/h1-5H,12H2,(H2,11,13)
InChI Key:
MBUVWDFUFYKBRA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc(cc1N)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.197g/mol
Monoisotopic Mass:
192.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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