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Home > Imidazoles > 663616-22-6
663616-22-6 | 6-(tert-Butyl)-1H-iMidazo[1,2-b]pyrazol-2(3H)-one
CAS No: 663616-22-6 Catalog No: AG00FH2T MDL No:MFCD13193596
Product Description
Catalog Number:
AG00FH2T
Chemical Name:
6-(tert-Butyl)-1H-iMidazo[1,2-b]pyrazol-2(3H)-one
CAS Number:
663616-22-6
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD13193596
IUPAC Name:
6-tert-butyl-1,3-dihydroimidazo[1,2-b]pyrazol-2-one
InChI:
InChI=1S/C9H13N3O/c1-9(2,3)6-4-7-10-8(13)5-12(7)11-6/h4H,5H2,1-3H3,(H,10,13)
InChI Key:
UFMRZZGKHQAVOV-UHFFFAOYSA-N
SMILES:
CC(c1cc2n(n1)CC(=O)N2)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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