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99595-85-4

99595-85-4 | 3-Methoxy-2-nitrobenzamide

CAS No: 99595-85-4 Catalog No: AG005SA6 MDL No:MFCD02066257

Product Description

Catalog Number:
AG005SA6
Chemical Name:
3-Methoxy-2-nitrobenzamide
CAS Number:
99595-85-4
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD02066257
IUPAC Name:
3-methoxy-2-nitrobenzamide
InChI:
InChI=1S/C8H8N2O4/c1-14-6-4-2-3-5(8(9)11)7(6)10(12)13/h2-4H,1H3,(H2,9,11)
InChI Key:
MZGJDLQJIXSZRB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1[N+](=O)[O-])C(=O)N

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

Title Journal
Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ. Bioorganic & medicinal chemistry letters 20090115

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