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89477-83-8 | 1,4-Naphthalenedione, 2,3-bis[(4-iodophenyl)thio]-
CAS No: 89477-83-8 Catalog No: AG00423I MDL No:
Product Description
Catalog Number:
AG00423I
Chemical Name:
1,4-Naphthalenedione, 2,3-bis[(4-iodophenyl)thio]-
CAS Number:
89477-83-8
Molecular Formula:
C22H12I2O2S2
Molecular Weight:
626.2684
IUPAC Name:
2,3-bis[(4-iodophenyl)sulfanyl]naphthalene-1,4-dione
InChI:
InChI=1S/C22H12I2O2S2/c23-13-5-9-15(10-6-13)27-21-19(25)17-3-1-2-4-18(17)20(26)22(21)28-16-11-7-14(24)8-12-16/h1-12H
InChI Key:
MKQSYPITTVPZPW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)SC1=C(Sc2ccc(cc2)I)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
625.837g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.265g/mol
Monoisotopic Mass:
625.837g/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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