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Home > Nitro Compounds > 89846-90-2
89846-90-2 | tert-butyl 2,4-dinitrophenyl disulfide
CAS No: 89846-90-2 Catalog No: AG003YQU MDL No:
Product Description
Catalog Number:
AG003YQU
Chemical Name:
tert-butyl 2,4-dinitrophenyl disulfide
CAS Number:
89846-90-2
Molecular Formula:
C10H12N2O4S2
Molecular Weight:
288.3433
IUPAC Name:
1-(tert-butyldisulfanyl)-2,4-dinitrobenzene
InChI:
InChI=1S/C10H12N2O4S2/c1-10(2,3)18-17-9-5-4-7(11(13)14)6-8(9)12(15)16/h4-6H,1-3H3
InChI Key:
NIODFAXPOVQHFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SSC(C)(C)C)[N+](=O)[O-]
NSC Number:
96679
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.336g/mol
Monoisotopic Mass:
288.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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