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100678-03-3 | 1H-Isoindole-1,3(2H)-dione, 2,2'-methylenebis[4,5,6,7-tetrabromo-
CAS No: 100678-03-3 Catalog No: AG0002M5 MDL No:
Product Description
Catalog Number:
AG0002M5
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-methylenebis[4,5,6,7-tetrabromo-
CAS Number:
100678-03-3
Molecular Formula:
C17H2Br8N2O4
Molecular Weight:
937.4408
IUPAC Name:
4,5,6,7-tetrabromo-2-[(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H2Br8N2O4/c18-6-2-3(7(19)11(23)10(6)22)15(29)26(14(2)28)1-27-16(30)4-5(17(27)31)9(21)13(25)12(24)8(4)20/h1H2
InChI Key:
QZJPKYOSCYYXAE-UHFFFAOYSA-N
SMILES:
O=C1N(CN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
937.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
937.445g/mol
Monoisotopic Mass:
929.348g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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