Home Nitros Benzamide, 2-hydroxy-5-nitro-

Benzamide, 2-hydroxy-5-nitro-

CAS No.:
2912-78-9
Catalog Number:
AG002XE6
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002XE6
Chemical Name:
Benzamide, 2-hydroxy-5-nitro-
CAS Number:
2912-78-9
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD12027045
IUPAC Name:
2-hydroxy-5-nitrobenzamide
InChI:
InChI=1S/C7H6N2O4/c8-7(11)5-3-4(9(12)13)1-2-6(5)10/h1-3,10H,(H2,8,11)
InChI Key:
SVIKHLOGVRDSGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)N)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Car-Parrinello simulation of the vibrational spectrum of a medium strong hydrogen bond by two-dimensional quantization of the nuclear motion: application to 2-hydroxy-5-nitrobenzamide. The journal of physical chemistry. B 20120419
2-Hy-droxy-5-nitro-N-phenyl-benzamide. Acta crystallographica. Section E, Structure reports online 20100701
Properties