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1174309-16-0 | 1H-Pyrazol-4-amine, 1-(difluoromethyl)-
CAS No: 1174309-16-0 Catalog No: AG000EB1 MDL No:MFCD11558117
Product Description
Catalog Number:
AG000EB1
Chemical Name:
1H-Pyrazol-4-amine, 1-(difluoromethyl)-
CAS Number:
1174309-16-0
Molecular Formula:
C4H5F2N3
Molecular Weight:
133.0994
MDL Number:
MFCD11558117
IUPAC Name:
1-(difluoromethyl)pyrazol-4-amine
InChI:
InChI=1S/C4H5F2N3/c5-4(6)9-2-3(7)1-8-9/h1-2,4H,7H2
InChI Key:
JYZVNUKJBUJJIK-UHFFFAOYSA-N
SMILES:
FC(n1ncc(c1)N)F
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.102g/mol
Monoisotopic Mass:
133.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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