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5332-26-3 | N-(Bromomethyl)phthalimide
CAS No: 5332-26-3 Catalog No: AG003SE2 MDL No:MFCD00005897
Product Description
Catalog Number:
AG003SE2
Chemical Name:
N-(Bromomethyl)phthalimide
CAS Number:
5332-26-3
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00005897
IUPAC Name:
2-(bromomethyl)isoindole-1,3-dione
InChI:
InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
InChI Key:
UUSLLECLCKTJQF-UHFFFAOYSA-N
SMILES:
BrCN1C(=O)c2c(C1=O)cccc2
EC Number:
226-239-2
NSC Number:
3997
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Density functional theory, comparative vibrational spectroscopic studies, NBO, HOMO-LUMO analyses and thermodynamic functions of N-(bromomethyl)phthalimide and N-(chloromethyl)phthalimide. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601 |
| 2-(1,3-Dioxoisoindolin-2-yl)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20101001 |
| N-[(3,5-Dimethyl-pyrazol-1-yl)meth-yl]phthalimide. | Acta crystallographica. Section E, Structure reports online 20080901 |
| N-(Imidazol-1-ylmeth-yl)phthalimide. | Acta crystallographica. Section E, Structure reports online 20080901 |
| N-(1H-1,2,3-Benzotriazol-1-ylmeth-yl)phthalimide. | Acta crystallographica. Section E, Structure reports online 20080901 |
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