Home Nitro Compounds 610-15-1
610-15-1,MFCD00007976
Catalog No.:AA003HPK
610-15-1 | 2-Nitrobenzamide
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  • Technical Information
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Technical Information
Catalog Number:
AA003HPK
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
Computed Properties
 
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
2-Nitrobenzamide 
610-15-1 
KLGQWSOYKYFBTR-UHFFFAOYSA-N 
MFCD00007976 
nitro-benzamide 
2-nitro-benzamide 
Benzamide,2-nitro- 
NSC407995 
Benzmide, 2-nitro- 
WLN: ZVR BNW 
2-NITRO BENZAMIDE 
2-Nitrobenzamide, 98% 
O-NITROBENZAMIDE 
DSSTox_CID_5733 
ACMC-209mo5 
AC1L1YC6 
AC1Q5AV3 
DSSTox_RID_77898 
DSSTox_GSID_25733 
MLS002415764 
SCHEMBL115478 
Benzamide, 2-nitro- (9CI) 
CHEMBL1876019 
Benzamide, o-nitro- 
DTXSID0025733 
SCHEMBL10766788 
CTK5B2566 
HMS3039B14 
ZINC337539 
KS-000014IF 
Tox21_200805 
ANW-33651 
SBB008239 
AKOS003264457 
Benzamide, 2-nitro- 
AKOS015889353 
FR-1098 
LS-1457 
MCULE-3155069269 
NSC-407995 
NCGC00091242-01 
NCGC00091242-02 
NCGC00258359-01 
CAS-610-15-1 
NCI60_003903 
2-Carbamoylnitrobenzene 
SMR001370920 
ZB010861 
DB-053767 
TR-021022 
FT-0613178 
N0322 
ST45024116 
AQ-776/40170836 
I01-18238 
F1084-0243 
nitrobenzamide 
InChI=1/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10 
C7H6N2O3 
C7-H6-N2-O3 
CID11876 
4-09-00-01049 (Beilstein Handbook Reference) 
EINECS 210-208-5 
NSC 407995 
BRN 1950928 
Literature

Title: Future prospects in the treatment of erectile dysfunction: focus on avanafil.

Journal: Drug design, development and therapy 20110101

Title: Efficient and convenient synthesis of pyrrolo[1,2-a]quinazoline derivatives with the aid of tin(II) chloride.

Journal: Journal of combinatorial chemistry 20100712

Title: 2-Methyl-N-p-tolyl-benzamide: a second monoclinic polymorph.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: N-Cyclo-hexyl-3,4,5-trimethoxy-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: High content screening identifies decaprenyl-phosphoribose 2' epimerase as a target for intracellular antimycobacterial inhibitors.

Journal: PLoS pathogens 20091001

Title: N-(4-Methoxy-phen-yl)pivalamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: N-(4-Nitro-phen-yl)cinnamamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: 4-Chloro-N-cyclo-hexyl-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: 4-Chloro-N-m-tolyl-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: N-Butyl-4-chloro-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Stannous chloride in alcohol: a one-pot conversion of 2-nitro-N-arylbenzamides to 2,3-dihydro-1H-quinazoline-4-ones.

Journal: The Journal of organic chemistry 20050819

Title: 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.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101

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