CAS 148-01-6 | Benzamide, 2-methyl-3,5-dinitro- | CAS Number 148-01-6

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148-01-6 | Benzamide, 2-methyl-3,5-dinitro-

CAS No: 148-01-6 Catalog No: AG001FD3 MDL No:MFCD00072065

Product Description

Catalog Number:

AG001FD3

Chemical Name:

Benzamide, 2-methyl-3,5-dinitro-

CAS Number:

148-01-6

Molecular Formula:

C8H7N3O5

Molecular Weight:

225.1583

MDL Number:

MFCD00072065

IUPAC Name:

2-methyl-3,5-dinitrobenzamide

InChI:

InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)

InChI Key:

ZEFNOZRLAWVAQF-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C

EC Number:

205-706-4

UNII:

AOX68RY4TV

NSC Number:

758213

RTECS Number:

XS4200000

Properties

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.16g/mol

Monoisotopic Mass:

225.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

135A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
The efficacy of anticoccidial products against Eimeria spp. in northern bobwhites.	Avian diseases 20110301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.	Journal of medicinal chemistry 20081113
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
Efficacy of diclazuril in comparison with chemical and ionophorous anticoccidials against Eimeria spp. in broiler chickens in floor pens.	Poultry science 20010401