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89470-16-6 | 1,3-Butadiene-1-sulfenic acid, 1,2,3,4,4-pentachloro-
CAS No: 89470-16-6 Catalog No: AG004273 MDL No:
Product Description
Catalog Number:
AG004273
Chemical Name:
1,3-Butadiene-1-sulfenic acid, 1,2,3,4,4-pentachloro-
CAS Number:
89470-16-6
Molecular Formula:
C4HCl5OS
Molecular Weight:
274.3801
IUPAC Name:
1,1,2,3,4-pentachloro-4-hydroxysulfanylbuta-1,3-diene
InChI:
InChI=1S/C4HCl5OS/c5-1(3(7)8)2(6)4(9)11-10/h10H
InChI Key:
OPBYXKWUGGEENE-UHFFFAOYSA-N
SMILES:
OSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.816g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.361g/mol
Monoisotopic Mass:
271.819g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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