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19993-65-8 | Benzoic acid, 2,2'-dithiobis[4-chloro-
CAS No: 19993-65-8 Catalog No: AG002CGS MDL No:
Product Description
Catalog Number:
AG002CGS
Chemical Name:
Benzoic acid, 2,2'-dithiobis[4-chloro-
CAS Number:
19993-65-8
Molecular Formula:
C14H8Cl2O4S2
Molecular Weight:
375.2469
IUPAC Name:
2-[(2-carboxy-5-chlorophenyl)disulfanyl]-4-chlorobenzoic acid
InChI:
InChI=1S/C14H8Cl2O4S2/c15-7-1-3-9(13(17)18)11(5-7)21-22-12-6-8(16)2-4-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
DJHWLHNAWVBDNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1SSc1cc(Cl)ccc1C(=O)O)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.924g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.234g/mol
Monoisotopic Mass:
373.924g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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