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Home > Nitro Compounds > 89303-52-6
89303-52-6 | Benzene, 4-(methylsulfonyl)-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 89303-52-6 Catalog No: AG003ZY7 MDL No:
Product Description
Catalog Number:
AG003ZY7
Chemical Name:
Benzene, 4-(methylsulfonyl)-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
89303-52-6
Molecular Formula:
C14H13NO6S2
Molecular Weight:
355.3861
IUPAC Name:
1-(benzenesulfonylmethyl)-4-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C14H13NO6S2/c1-22(18,19)13-8-7-11(14(9-13)15(16)17)10-23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
BGGIDFSRJOHNOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1CS(=O)(=O)c1ccccc1)S(=O)(=O)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.018g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.379g/mol
Monoisotopic Mass:
355.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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