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5460-29-7 | N-(3-Bromopropyl)phthalimide
CAS No: 5460-29-7 Catalog No: AG0035AF MDL No:MFCD00005904
Product Description
Catalog Number:
AG0035AF
Chemical Name:
N-(3-Bromopropyl)phthalimide
CAS Number:
5460-29-7
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
MDL Number:
MFCD00005904
IUPAC Name:
2-(3-bromopropyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChI Key:
VKJCJJYNVIYVQR-UHFFFAOYSA-N
SMILES:
BrCCCN1C(=O)c2c(C1=O)cccc2
EC Number:
226-738-5
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)prop-yl]-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione. | Acta crystallographica. Section E, Structure reports online 20110801 |
| 2-(3-Bromo-prop-yl)isoindoline-1,3-dione. | Acta crystallographica. Section E, Structure reports online 20091101 |
| New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine. | Journal of medicinal chemistry 20090312 |
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