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Home > Nitro Compounds > 89846-89-9
89846-89-9 | 2,4-dinitro-1-(propan-2-yldisulfanyl)benzene
CAS No: 89846-89-9 Catalog No: AG003YQV MDL No:
Product Description
Catalog Number:
AG003YQV
Chemical Name:
2,4-dinitro-1-(propan-2-yldisulfanyl)benzene
CAS Number:
89846-89-9
Molecular Formula:
C9H10N2O4S2
Molecular Weight:
274.3167
IUPAC Name:
2,4-dinitro-1-(propan-2-yldisulfanyl)benzene
InChI:
InChI=1S/C9H10N2O4S2/c1-6(2)16-17-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6H,1-2H3
InChI Key:
NIHIVDGWEUZCEL-UHFFFAOYSA-N
SMILES:
CC(SSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
NSC Number:
96670
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.309g/mol
Monoisotopic Mass:
274.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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