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Home > Nitro Compounds > 1774-38-5
1774-38-5 | Benzene, 1,1'-sulfinylbis[4-nitro-
CAS No: 1774-38-5 Catalog No: AG0025AS MDL No:
Product Description
Catalog Number:
AG0025AS
Chemical Name:
Benzene, 1,1'-sulfinylbis[4-nitro-
CAS Number:
1774-38-5
Molecular Formula:
C12H8N2O5S
Molecular Weight:
292.2673
IUPAC Name:
1-nitro-4-(4-nitrophenyl)sulfinylbenzene
InChI:
InChI=1S/C12H8N2O5S/c15-13(16)9-1-5-11(6-2-9)20(19)12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key:
FOPAYJWJHKMOHS-UHFFFAOYSA-N
SMILES:
O=S(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.015g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.265g/mol
Monoisotopic Mass:
292.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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