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Home > Nitro Compounds > 326901-31-9

326901-31-9

326901-31-9 | N-(6-Methylpyridin-2-yl)-2-nitrobenzamide

CAS No: 326901-31-9 Catalog No: AG00I67S MDL No:MFCD01213269

Product Description

Catalog Number:
AG00I67S
Chemical Name:
N-(6-Methylpyridin-2-yl)-2-nitrobenzamide
CAS Number:
326901-31-9
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD01213269
IUPAC Name:
N-(6-methylpyridin-2-yl)-2-nitrobenzamide
InChI:
InChI=1S/C13H11N3O3/c1-9-5-4-8-12(14-9)15-13(17)10-6-2-3-7-11(10)16(18)19/h2-8H,1H3,(H,14,15,17)
InChI Key:
QLRHTGRGJNNLPD-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)NC(=O)c1ccccc1[N+](=O)[O-]

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
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

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