CAS 2142-01-0 | 2-Benzylisoindoline-1,3-dione | CAS Number 2142-01-0

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2142-01-0 | 2-Benzylisoindoline-1,3-dione

CAS No: 2142-01-0 Catalog No: AG003GL6 MDL No:MFCD00023077

Product Description

Catalog Number:

AG003GL6

Chemical Name:

2-Benzylisoindoline-1,3-dione

CAS Number:

2142-01-0

Molecular Formula:

C15H11NO2

Molecular Weight:

237.2533

MDL Number:

MFCD00023077

IUPAC Name:

2-benzylisoindole-1,3-dione

InChI:

InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2

InChI Key:

WITXFYCLPDFRNM-UHFFFAOYSA-N

SMILES:

O=C1N(Cc2ccccc2)C(=O)c2c1cccc2

EC Number:

218-395-5

UNII:

3G2A77460J

NSC Number:

2771

Properties

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.258g/mol

Monoisotopic Mass:

237.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Inhibition of monoamine oxidase by C5-substituted phthalimide analogues.	Bioorganic & medicinal chemistry 20110815
2-Benzyl-isoindoline-1,3-dione: a monoclinic polymorph.	Acta crystallographica. Section E, Structure reports online 20080101
Kinetic coupled with UV spectral evidence for near-irreversible nonionic micellar binding of N-benzylphthalimide under the typical reaction conditions: an observation against a major assumption of the pseudophase micellar model.	The journal of physical chemistry. B 20071025