CAS 54255-63-9 | 5-nitro-2-phenoxybenzoic acid | CAS Number 54255-63-9

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54255-63-9 | 5-nitro-2-phenoxybenzoic acid

CAS No: 54255-63-9 Catalog No: AG019KZX MDL No:MFCD09734608

Product Description

Catalog Number:

AG019KZX

Chemical Name:

5-nitro-2-phenoxybenzoic acid

CAS Number:

54255-63-9

Molecular Formula:

C13H9NO5

Molecular Weight:

259.2143

MDL Number:

MFCD09734608

IUPAC Name:

5-nitro-2-phenoxybenzoic acid

InChI:

InChI=1S/C13H9NO5/c15-13(16)11-8-9(14(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)

InChI Key:

NCHLUKFIXIOAPI-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Oc1ccccc1)[N+](=O)[O-]

NSC Number:

121899

Properties

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.217g/mol

Monoisotopic Mass:

259.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Discovery of inhibitors of plasminogen activator inhibitor-1: structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives.	Bioorganic & medicinal chemistry letters 20111001
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501