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Home > Nitro Compounds > 101219-76-5
101219-76-5 | Benzene, 1-[2-(methylthio)ethoxy]-2,4-dinitro-
CAS No: 101219-76-5 Catalog No: AG0003ZP MDL No:
Product Description
Catalog Number:
AG0003ZP
Chemical Name:
Benzene, 1-[2-(methylthio)ethoxy]-2,4-dinitro-
CAS Number:
101219-76-5
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
IUPAC Name:
1-(2-methylsulfanylethoxy)-2,4-dinitrobenzene
InChI:
InChI=1S/C9H10N2O5S/c1-17-5-4-16-9-3-2-7(10(12)13)6-8(9)11(14)15/h2-3,6H,4-5H2,1H3
InChI Key:
LUYIZIMSQLIXFY-UHFFFAOYSA-N
SMILES:
CSCCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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