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Home > Nitro Compounds > 89303-57-1
89303-57-1 | Benzene, 2,4-dinitro-1-[1-(phenylsulfonyl)propyl]-
CAS No: 89303-57-1 Catalog No: AG0040GB MDL No:
Product Description
Catalog Number:
AG0040GB
Chemical Name:
Benzene, 2,4-dinitro-1-[1-(phenylsulfonyl)propyl]-
CAS Number:
89303-57-1
Molecular Formula:
C15H14N2O6S
Molecular Weight:
350.3465
IUPAC Name:
1-[1-(benzenesulfonyl)propyl]-2,4-dinitrobenzene
InChI:
InChI=1S/C15H14N2O6S/c1-2-15(24(22,23)12-6-4-3-5-7-12)13-9-8-11(16(18)19)10-14(13)17(20)21/h3-10,15H,2H2,1H3
InChI Key:
DHHNPOUYBAFFTN-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=O)c1ccccc1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.345g/mol
Monoisotopic Mass:
350.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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