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Home > Nitro Compounds > 89303-19-5
89303-19-5 | Benzene, 1,4-dinitro-2-[(phenylsulfonyl)methyl]-
CAS No: 89303-19-5 Catalog No: AG003YN4 MDL No:
Product Description
Catalog Number:
AG003YN4
Chemical Name:
Benzene, 1,4-dinitro-2-[(phenylsulfonyl)methyl]-
CAS Number:
89303-19-5
Molecular Formula:
C13H10N2O6S
Molecular Weight:
322.2933
IUPAC Name:
2-(benzenesulfonylmethyl)-1,4-dinitrobenzene
InChI:
InChI=1S/C13H10N2O6S/c16-14(17)11-6-7-13(15(18)19)10(8-11)9-22(20,21)12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
LQUHMKUQUGQMBX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.291g/mol
Monoisotopic Mass:
322.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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