CAS 14422-49-2 | Benzoic acid, 2-[(2-chloroacetyl)amino]- | CAS Number 14422-49-2

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14422-49-2 | Benzoic acid, 2-[(2-chloroacetyl)amino]-

CAS No: 14422-49-2 Catalog No: AG001J51 MDL No:MFCD00029924

Product Description

Catalog Number:

AG001J51

Chemical Name:

Benzoic acid, 2-[(2-chloroacetyl)amino]-

CAS Number:

14422-49-2

Molecular Formula:

C9H8ClNO3

Molecular Weight:

213.6177

MDL Number:

MFCD00029924

IUPAC Name:

2-[(2-chloroacetyl)amino]benzoic acid

InChI:

InChI=1S/C9H8ClNO3/c10-5-8(12)11-7-4-2-1-3-6(7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)

InChI Key:

OKAPEGBSNZHDIW-UHFFFAOYSA-N

SMILES:

ClCC(=O)Nc1ccccc1C(=O)O

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.617g/mol

Monoisotopic Mass:

213.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Exploration of antimicrobial and antioxidant potential of newly synthesized 2,3-disubstituted quinazoline-4(3H)-ones.	Bioorganic & medicinal chemistry letters 20110715
Methyl 2-(2-hydroxy-acetamido)benzoate.	Acta crystallographica. Section E, Structure reports online 20100401