CAS 10242-10-1 | 2-Benzofurancarboxylic acid, 5-chloro- | CAS Number 10242-10-1

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10242-10-1 | 2-Benzofurancarboxylic acid, 5-chloro-

CAS No: 10242-10-1 Catalog No: AG0007FG MDL No:MFCD00060512

Product Description

Catalog Number:

AG0007FG

Chemical Name:

2-Benzofurancarboxylic acid, 5-chloro-

CAS Number:

10242-10-1

Molecular Formula:

C9H5ClO3

Molecular Weight:

196.5872

MDL Number:

MFCD00060512

IUPAC Name:

5-chloro-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

InChI Key:

JETRXAHRPACNMA-UHFFFAOYSA-N

SMILES:

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

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.586g/mol

Monoisotopic Mass:

195.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506