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116761-95-6 | 4,7-Methano-1H-isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-3a,4,7,7a-tetrahydro-
CAS No: 116761-95-6 Catalog No: AG000D7M MDL No:
Product Description
Catalog Number:
AG000D7M
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-3a,4,7,7a-tetrahydro-
CAS Number:
116761-95-6
Molecular Formula:
C9H5Cl4NO2
Molecular Weight:
300.9535
IUPAC Name:
1,7,8,9-tetrachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C9H5Cl4NO2/c10-4-5(11)9(13)1-8(4,12)2-3(9)7(16)14-6(2)15/h2-3H,1H2,(H,14,15,16)
InChI Key:
UPGSFLYHZCTRMC-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C1C1(Cl)CC2(Cl)C(=C1Cl)Cl
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.944g/mol
Monoisotopic Mass:
298.907g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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