CAS 883-92-1 | 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid | CAS Number 883-92-1

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883-92-1 | 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid

CAS No: 883-92-1 Catalog No: AG004FDK MDL No:MFCD00991129

Product Description

Catalog Number:

AG004FDK

Chemical Name:

6-Chloro-2-oxo-2H-chromene-3-carboxylic acid

CAS Number:

883-92-1

Molecular Formula:

C10H5ClO4

Molecular Weight:

224.5973

MDL Number:

MFCD00991129

IUPAC Name:

6-chloro-2-oxochromene-3-carboxylic acid

InChI:

InChI=1S/C10H5ClO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)

InChI Key:

FOEGEQQPOKZIAB-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)cc(c(=O)o2)C(=O)O

NSC Number:

115552

Properties

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.596g/mol

Monoisotopic Mass:

223.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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