CAS 641-70-3 | 3-Nitrophthalic anhydride | CAS Number 641-70-3

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641-70-3 | 3-Nitrophthalic anhydride

CAS No: 641-70-3 Catalog No: AG0039OM MDL No:MFCD00005921

Product Description

Catalog Number:

AG0039OM

Chemical Name:

3-Nitrophthalic anhydride

CAS Number:

641-70-3

Molecular Formula:

C8H3NO5

Molecular Weight:

193.1131

MDL Number:

MFCD00005921

IUPAC Name:

4-nitro-2-benzofuran-1,3-dione

InChI:

InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H

InChI Key:

ROFZMKDROVBLNY-UHFFFAOYSA-N

SMILES:

O=C1OC(=O)c2c1cccc2[N+](=O)[O-]

EC Number:

211-373-6

Properties

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.114g/mol

Monoisotopic Mass:

193.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Design and synthesis of marine fungal phthalide derivatives as PPAR-γ agonists.	Bioorganic & medicinal chemistry 20120815
4-Nitro-N-phthalyl-l-tryptophan.	Acta crystallographica. Section E, Structure reports online 20110801
Analytical method for determination of allylic isoprenols in rat tissues by liquid chromatography/tandem mass spectrometry following chemical derivatization with 3-nitrophtalic anhydride.	Journal of pharmaceutical and biomedical analysis 20080715
Thalidomide analogs from diamines: Synthesis and evaluation as inhibitors of TNF-alpha production.	Chemical & pharmaceutical bulletin 20070201