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Home > Nitro Compounds > 163300-40-1
163300-40-1 | Dodecane, 1-[[1-(dodecylthio)-2-nitroethenyl]thio]-
CAS No: 163300-40-1 Catalog No: AG001U0S MDL No:
Product Description
Catalog Number:
AG001U0S
Chemical Name:
Dodecane, 1-[[1-(dodecylthio)-2-nitroethenyl]thio]-
CAS Number:
163300-40-1
Molecular Formula:
C26H51NO2S2
Molecular Weight:
473.8186
IUPAC Name:
1-(1-dodecylsulfanyl-2-nitroethenyl)sulfanyldodecane
InChI:
InChI=1S/C26H51NO2S2/c1-3-5-7-9-11-13-15-17-19-21-23-30-26(25-27(28)29)31-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChI Key:
MKXIZWKVEAUNHV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=C[N+](=O)[O-])SCCCCCCCCCCCC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.336g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.819g/mol
Monoisotopic Mass:
473.336g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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