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88063-33-6 | 1H-Isoindol-1-one, 3-butylidene-4,5,6,7-tetrachloro-2,3-dihydro-
CAS No: 88063-33-6 Catalog No: AG004FFS MDL No:
Product Description
Catalog Number:
AG004FFS
Chemical Name:
1H-Isoindol-1-one, 3-butylidene-4,5,6,7-tetrachloro-2,3-dihydro-
CAS Number:
88063-33-6
Molecular Formula:
C12H9Cl4NO
Molecular Weight:
325.0180
IUPAC Name:
3-butylidene-4,5,6,7-tetrachloroisoindol-1-one
InChI:
InChI=1S/C12H9Cl4NO/c1-2-3-4-5-6-7(12(18)17-5)9(14)11(16)10(15)8(6)13/h4H,2-3H2,1H3,(H,17,18)
InChI Key:
QWECFRLMJBQNBU-UHFFFAOYSA-N
SMILES:
CCCC=C1NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.941g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.01g/mol
Monoisotopic Mass:
322.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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