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132841-05-5 | 1H-Isoindole-1,3(2H)-dione, 4,5,7-trichloro-2-phenyl-
CAS No: 132841-05-5 Catalog No: AG001192 MDL No:
Product Description
Catalog Number:
AG001192
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,7-trichloro-2-phenyl-
CAS Number:
132841-05-5
Molecular Formula:
C14H6Cl3NO2
Molecular Weight:
326.5619
IUPAC Name:
4,5,7-trichloro-2-phenylisoindole-1,3-dione
InChI:
InChI=1S/C14H6Cl3NO2/c15-8-6-9(16)12(17)11-10(8)13(19)18(14(11)20)7-4-2-1-3-5-7/h1-6H
InChI Key:
VTDVEZCFYITQGJ-UHFFFAOYSA-N
SMILES:
O=C1c2c(C(=O)N1c1ccccc1)c(Cl)cc(c2Cl)Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.946g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.557g/mol
Monoisotopic Mass:
324.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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