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1159905-88-0 | 1H-Isoindole-1,3(2H)-dione, 4,7-dibromo-2-dodecyl-
CAS No: 1159905-88-0 Catalog No: AG000HDP MDL No:
Product Description
Catalog Number:
AG000HDP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,7-dibromo-2-dodecyl-
CAS Number:
1159905-88-0
Molecular Formula:
C20H27Br2NO2
Molecular Weight:
473.2419
IUPAC Name:
4,7-dibromo-2-dodecylisoindole-1,3-dione
InChI:
InChI=1S/C20H27Br2NO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(24)17-15(21)12-13-16(22)18(17)20(23)25/h12-13H,2-11,14H2,1H3
InChI Key:
HKMKLXCAPVYMRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(Br)ccc2Br
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.249g/mol
Monoisotopic Mass:
471.041g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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