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1021875-68-2 | Ethanone, 1-(2-amino-4-methyl-1H-imidazol-5-yl)-2,2,2-trifluoro-
CAS No: 1021875-68-2 Catalog No: AG0006UG MDL No:
Product Description
Catalog Number:
AG0006UG
Chemical Name:
Ethanone, 1-(2-amino-4-methyl-1H-imidazol-5-yl)-2,2,2-trifluoro-
CAS Number:
1021875-68-2
Molecular Formula:
C6H6F3N3O
Molecular Weight:
193.1265
IUPAC Name:
1-(2-amino-5-methyl-1H-imidazol-4-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C6H6F3N3O/c1-2-3(12-5(10)11-2)4(13)6(7,8)9/h1H3,(H3,10,11,12)
InChI Key:
VLIQZYBIXJIVBV-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1[nH]c(nc1C)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.129g/mol
Monoisotopic Mass:
193.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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