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Home Nitros 2'-Hydroxy-5'-nitroacetophenone

2'-Hydroxy-5'-nitroacetophenone

CAS No.:
1450-76-6
Catalog Number:
AG001KG9
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG001KG9
Chemical Name:
2'-Hydroxy-5'-nitroacetophenone
CAS Number:
1450-76-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00463816
IUPAC Name:
1-(2-hydroxy-5-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3
InChI Key:
LNCBPUWMGYOISS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)C)O
UNII:
GAB9X531N3
NSC Number:
64461
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
New benzofuran derivatives as an antioxidant agent. Indian journal of pharmaceutical sciences 20100101
X-N charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanone. Organic & biomolecular chemistry 20030407
Properties