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77893-66-4 | 4,4-Dimethyl-2-(methylthio)-1-(2-nitrophenyl)-2-imidazolin-5-one
CAS No: 77893-66-4 Catalog No: AG00GPQ2 MDL No:
Product Description
Catalog Number:
AG00GPQ2
Chemical Name:
4,4-Dimethyl-2-(methylthio)-1-(2-nitrophenyl)-2-imidazolin-5-one
CAS Number:
77893-66-4
IUPAC Name:
5,5-dimethyl-2-methylsulfanyl-3-(2-nitrophenyl)imidazol-4-one
InChI:
InChI=1S/C12H13N3O3S/c1-12(2)10(16)14(11(13-12)19-3)8-6-4-5-7-9(8)15(17)18/h4-7H,1-3H3
InChI Key:
PWYJGGVMBVSIPU-UHFFFAOYSA-N
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.314g/mol
Monoisotopic Mass:
279.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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