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Home > Nitro Compounds > 89303-54-8
89303-54-8 | Benzene, 4-(1,1-dimethylethyl)-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 89303-54-8 Catalog No: AG0040GD MDL No:
Product Description
Catalog Number:
AG0040GD
Chemical Name:
Benzene, 4-(1,1-dimethylethyl)-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
89303-54-8
Molecular Formula:
C17H19NO4S
Molecular Weight:
333.4021
IUPAC Name:
1-(benzenesulfonylmethyl)-4-tert-butyl-2-nitrobenzene
InChI:
InChI=1S/C17H19NO4S/c1-17(2,3)14-10-9-13(16(11-14)18(19)20)12-23(21,22)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChI Key:
ZDDDGIOXVHLTCP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1CS(=O)(=O)c1ccccc1)C(C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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