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Home > Nitro Compounds > 866151-89-5
866151-89-5 | N-(4-tert-butylphenyl)-2-nitrobenzene-1-sulfonamide
CAS No: 866151-89-5 Catalog No: AG00IX0Y MDL No:MFCD01121258
Product Description
Catalog Number:
AG00IX0Y
Chemical Name:
N-(4-tert-butylphenyl)-2-nitrobenzene-1-sulfonamide
CAS Number:
866151-89-5
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
MDL Number:
MFCD01121258
IUPAC Name:
N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C16H18N2O4S/c1-16(2,3)12-8-10-13(11-9-12)17-23(21,22)15-7-5-4-6-14(15)18(19)20/h4-11,17H,1-3H3
InChI Key:
KBZIQGIZYPPJSK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)C(C)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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