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162283-30-9 | Hexadecane, 1-[(1,3,4,4-tetrachloro-2-nitro-1,3-butadien-1-yl)thio]-
CAS No: 162283-30-9 Catalog No: AG001SYN MDL No:
Product Description
Catalog Number:
AG001SYN
Chemical Name:
Hexadecane, 1-[(1,3,4,4-tetrachloro-2-nitro-1,3-butadien-1-yl)thio]-
CAS Number:
162283-30-9
Molecular Formula:
C20H33Cl4NO2S
Molecular Weight:
493.3585
IUPAC Name:
1-(1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl)sulfanylhexadecane
InChI:
InChI=1S/C20H33Cl4NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-20(24)18(25(26)27)17(21)19(22)23/h2-16H2,1H3
InChI Key:
SCOCNQASEAQFDE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.096g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.349g/mol
Monoisotopic Mass:
491.099g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
11.8
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