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88062-86-6 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-(2-chlorophenyl)-
CAS No: 88062-86-6 Catalog No: AG004FFU MDL No:
Product Description
Catalog Number:
AG004FFU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-(2-chlorophenyl)-
CAS Number:
88062-86-6
Molecular Formula:
C14H4Cl5NO2
Molecular Weight:
395.4521
IUPAC Name:
4,5,6,7-tetrachloro-2-(2-chlorophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H4Cl5NO2/c15-5-3-1-2-4-6(5)20-13(21)7-8(14(20)22)10(17)12(19)11(18)9(7)16/h1-4H
InChI Key:
KBKBULZHNRANRL-UHFFFAOYSA-N
SMILES:
Clc1ccccc1N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.866g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.441g/mol
Monoisotopic Mass:
392.868g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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