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159350-46-6 | 2-methyl-1-(4-nitrobenzenesulfonyl)-4,5-dihydro-1H-imidazole
CAS No: 159350-46-6 Catalog No: AG00IRNT MDL No:MFCD00547902
Product Description
Catalog Number:
AG00IRNT
Chemical Name:
2-methyl-1-(4-nitrobenzenesulfonyl)-4,5-dihydro-1H-imidazole
CAS Number:
159350-46-6
Molecular Formula:
C10H11N3O4S
Molecular Weight:
269.2770
MDL Number:
MFCD00547902
IUPAC Name:
2-methyl-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole
InChI:
InChI=1S/C10H11N3O4S/c1-8-11-6-7-12(8)18(16,17)10-4-2-9(3-5-10)13(14)15/h2-5H,6-7H2,1H3
InChI Key:
IRJKDRMFHFVCBB-UHFFFAOYSA-N
SMILES:
CC1=NCCN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.275g/mol
Monoisotopic Mass:
269.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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