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17702-83-9 | 1H-Isoindole-1,3(2H)-dione, 2-(8-bromooctyl)-
CAS No: 17702-83-9 Catalog No: AG00253B MDL No:MFCD00060523
Product Description
Catalog Number:
AG00253B
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(8-bromooctyl)-
CAS Number:
17702-83-9
Molecular Formula:
C16H20BrNO2
Molecular Weight:
338.2395
MDL Number:
MFCD00060523
IUPAC Name:
2-(8-bromooctyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H20BrNO2/c17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,1-4,7-8,11-12H2
InChI Key:
LAMUQORCSIHVMC-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
76815
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.245g/mol
Monoisotopic Mass:
337.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Versatile routes to C-2- and C-6-functionalized glucose derivatives of iminodiacetic acid. | The Journal of organic chemistry 20030124 |
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