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Home > Nitro Compounds > 7343-59-1
7343-59-1 | sulfide, 2,4-dinitrophenyl hexyl
CAS No: 7343-59-1 Catalog No: AG005E0N MDL No:
Product Description
Catalog Number:
AG005E0N
Chemical Name:
sulfide, 2,4-dinitrophenyl hexyl
CAS Number:
7343-59-1
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
IUPAC Name:
1-hexylsulfanyl-2,4-dinitrobenzene
InChI:
InChI=1S/C12H16N2O4S/c1-2-3-4-5-8-19-12-7-6-10(13(15)16)9-11(12)14(17)18/h6-7,9H,2-5,8H2,1H3
InChI Key:
HUXUNDRTPVNFNO-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
99880
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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