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188744-64-1 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrabromo-2-(2,3-dibromopropyl)-
CAS No: 188744-64-1 Catalog No: AG002H8D MDL No:
Product Description
Catalog Number:
AG002H8D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrabromo-2-(2,3-dibromopropyl)-
CAS Number:
188744-64-1
Molecular Formula:
C11H5Br6NO2
Molecular Weight:
662.5869
IUPAC Name:
4,5,6,7-tetrabromo-2-(2,3-dibromopropyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H5Br6NO2/c12-1-3(13)2-18-10(19)4-5(11(18)20)7(15)9(17)8(16)6(4)14/h3H,1-2H2
InChI Key:
KIQUIBGVLRCXAJ-UHFFFAOYSA-N
SMILES:
BrCC(CN1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br)Br
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.536g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.59g/mol
Monoisotopic Mass:
656.542g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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