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19783-56-3 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrabromo-2-(2-thiazolyl)-
CAS No: 19783-56-3 Catalog No: AG002B3G MDL No:
Product Description
Catalog Number:
AG002B3G
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrabromo-2-(2-thiazolyl)-
CAS Number:
19783-56-3
Molecular Formula:
C11H2Br4N2O2S
Molecular Weight:
545.8268
IUPAC Name:
4,5,6,7-tetrabromo-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H2Br4N2O2S/c12-5-3-4(6(13)8(15)7(5)14)10(19)17(9(3)18)11-16-1-2-20-11/h1-2H
InChI Key:
NCLAJTQSCQGBDW-UHFFFAOYSA-N
SMILES:
O=C1N(c2nccs2)C(=O)c2c1c(Br)c(c(c2Br)Br)Br
NSC Number:
92844
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.653g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
545.825g/mol
Monoisotopic Mass:
541.657g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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