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162283-29-6 | Dodecane, 1-[(1,3,4,4-tetrachloro-2-nitro-1,3-butadien-1-yl)thio]-
CAS No: 162283-29-6 Catalog No: AG001SYO MDL No:
Product Description
Catalog Number:
AG001SYO
Chemical Name:
Dodecane, 1-[(1,3,4,4-tetrachloro-2-nitro-1,3-butadien-1-yl)thio]-
CAS Number:
162283-29-6
Molecular Formula:
C16H25Cl4NO2S
Molecular Weight:
437.2522
IUPAC Name:
1-(1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl)sulfanyldodecane
InChI:
InChI=1S/C16H25Cl4NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-24-16(20)14(21(22)23)13(17)15(18)19/h2-12H2,1H3
InChI Key:
FJJDFOZHEGPNBF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.033g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.241g/mol
Monoisotopic Mass:
435.036g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.6
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