CAS 610-15-1 | 2-Nitrobenzamide | CAS Number 610-15-1

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610-15-1 | 2-Nitrobenzamide

CAS No: 610-15-1 Catalog No: AG003HSC MDL No:MFCD00007976

Product Description

Catalog Number:

AG003HSC

Chemical Name:

2-Nitrobenzamide

CAS Number:

610-15-1

Molecular Formula:

C7H6N2O3

Molecular Weight:

166.1341

MDL Number:

MFCD00007976

IUPAC Name:

2-nitrobenzamide

InChI:

InChI=1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)

InChI Key:

KLGQWSOYKYFBTR-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccccc1C(=O)N

EC Number:

210-208-5

NSC Number:

407995

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.136g/mol

Monoisotopic Mass:

166.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

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2-Methyl-N-p-tolyl-benzamide: a second monoclinic polymorph.	Acta crystallographica. Section E, Structure reports online 20100401
N-Cyclo-hexyl-3,4,5-trimethoxy-benzamide.	Acta crystallographica. Section E, Structure reports online 20091201
High content screening identifies decaprenyl-phosphoribose 2' epimerase as a target for intracellular antimycobacterial inhibitors.	PLoS pathogens 20091001
N-(4-Methoxy-phen-yl)pivalamide.	Acta crystallographica. Section E, Structure reports online 20090901
N-(4-Nitro-phen-yl)cinnamamide.	Acta crystallographica. Section E, Structure reports online 20090901
4-Chloro-N-cyclo-hexyl-benzamide.	Acta crystallographica. Section E, Structure reports online 20090701
4-Chloro-N-m-tolyl-benzamide.	Acta crystallographica. Section E, Structure reports online 20090601
N-Butyl-4-chloro-benzamide.	Acta crystallographica. Section E, Structure reports online 20081201
N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide.	Acta crystallographica. Section E, Structure reports online 20080401
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
Stannous chloride in alcohol: a one-pot conversion of 2-nitro-N-arylbenzamides to 2,3-dihydro-1H-quinazoline-4-ones.	The Journal of organic chemistry 20050819
Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part I. Vibrational spectra, normal coordinate analysis and transferability of force constants of nitrobenzamides, nitrobenzaldehydes and nitrotoluenes.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101