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89477-98-5 | 1,4-Naphthalenedione, 2-[(3-chlorophenyl)thio]-3-[(4-chlorophenyl)thio]-
CAS No: 89477-98-5 Catalog No: AG00423C MDL No:
Product Description
Catalog Number:
AG00423C
Chemical Name:
1,4-Naphthalenedione, 2-[(3-chlorophenyl)thio]-3-[(4-chlorophenyl)thio]-
CAS Number:
89477-98-5
Molecular Formula:
C22H12Cl2O2S2
Molecular Weight:
443.3655
IUPAC Name:
2-(3-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylnaphthalene-1,4-dione
InChI:
InChI=1S/C22H12Cl2O2S2/c23-13-8-10-15(11-9-13)27-21-19(25)17-6-1-2-7-18(17)20(26)22(21)28-16-5-3-4-14(24)12-16/h1-12H
InChI Key:
IPBLGTFFUUWSOI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SC1=C(Sc2cccc(c2)Cl)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.966g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.356g/mol
Monoisotopic Mass:
441.966g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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