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133279-16-0 | Benzenesulfonamide, N-(aminocarbonyl)-4-(1,1-dimethylethyl)-2-nitro-
CAS No: 133279-16-0 Catalog No: AG0014IQ MDL No:
Product Description
Catalog Number:
AG0014IQ
Chemical Name:
Benzenesulfonamide, N-(aminocarbonyl)-4-(1,1-dimethylethyl)-2-nitro-
CAS Number:
133279-16-0
Molecular Formula:
C11H15N3O5S
Molecular Weight:
301.3189
IUPAC Name:
(4-tert-butyl-2-nitrophenyl)sulfonylurea
InChI:
InChI=1S/C11H15N3O5S/c1-11(2,3)7-4-5-9(8(6-7)14(16)17)20(18,19)13-10(12)15/h4-6H,1-3H3,(H3,12,13,15)
InChI Key:
UVRPKJURYIVBQE-UHFFFAOYSA-N
SMILES:
NC(=O)NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.317g/mol
Monoisotopic Mass:
301.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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