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92594-95-1 | 1,3-Dithiol-1-ium, 2-chloro-4-phenyl-, perchlorate
CAS No: 92594-95-1 Catalog No: AG006G5M MDL No:
Product Description
Catalog Number:
AG006G5M
Chemical Name:
1,3-Dithiol-1-ium, 2-chloro-4-phenyl-, perchlorate
CAS Number:
92594-95-1
Molecular Formula:
C9H6Cl2O4S2
Molecular Weight:
313.1775
IUPAC Name:
2-chloro-4-phenyl-1,3-dithiol-1-ium;perchlorate
InChI:
InChI=1S/C9H6ClS2.ClHO4/c10-9-11-6-8(12-9)7-4-2-1-3-5-7;2-1(3,4)5/h1-6H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZHKGMBLAIWIDKM-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Clc1[s+]cc(s1)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.908g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.163g/mol
Monoisotopic Mass:
311.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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