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1006333-08-9 | 1H-Pyrazol-4-amine, 1-(2,2-difluoroethyl)-
CAS No: 1006333-08-9 Catalog No: AG0002IE MDL No:MFCD08558974
Product Description
Catalog Number:
AG0002IE
Chemical Name:
1H-Pyrazol-4-amine, 1-(2,2-difluoroethyl)-
CAS Number:
1006333-08-9
Molecular Formula:
C5H7F2N3
Molecular Weight:
147.1260
MDL Number:
MFCD08558974
IUPAC Name:
1-(2,2-difluoroethyl)pyrazol-4-amine
InChI:
InChI=1S/C5H7F2N3/c6-5(7)3-10-2-4(8)1-9-10/h1-2,5H,3,8H2
InChI Key:
LMAYRTOWGOVCOR-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)N)F
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.129g/mol
Monoisotopic Mass:
147.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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