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Home > Nitro Compounds > 49690-09-7
49690-09-7 | N-(tert-Butyl);-4-nitrobenzenesulfonamide
CAS No: 49690-09-7 Catalog No: AG003TCX MDL No:MFCD00443679
Product Description
Catalog Number:
AG003TCX
Chemical Name:
N-(tert-Butyl);-4-nitrobenzenesulfonamide
CAS Number:
49690-09-7
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
MDL Number:
MFCD00443679
IUPAC Name:
N-tert-butyl-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H14N2O4S/c1-10(2,3)11-17(15,16)9-6-4-8(5-7-9)12(13)14/h4-7,11H,1-3H3
InChI Key:
YVSUQTZCHSBFEN-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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