Name: Name:2-(4-fluorophenyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG01AK6S
Rating: 90 (10 reviews)

2-(4-fluorophenyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

499189-03-6

Catalog Number:

AG01AK6S

Molecular Formula:

C14H7FN2O4

Molecular Weight:

286.2148

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Product Description

Catalog Number:

AG01AK6S

Chemical Name:

2-(4-fluorophenyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number:

499189-03-6

Molecular Formula:

C14H7FN2O4

Molecular Weight:

286.2148

MDL Number:

MFCD00416915

IUPAC Name:

2-(4-fluorophenyl)-5-nitroisoindole-1,3-dione

InChI:

InChI=1S/C14H7FN2O4/c15-8-1-3-9(4-2-8)16-13(18)11-6-5-10(17(20)21)7-12(11)14(16)19/h1-7H

InChI Key:

DVCBEWYYYXZKFV-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

Properties

Complexity:

470

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.218g/mol

Monoisotopic Mass:

286.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
N-(4-fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets.	Acta crystallographica. Section C, Crystal structure communications 20040701