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Home Nitros 2-Bromo-4'-nitroacetophenone

2-Bromo-4'-nitroacetophenone

CAS No.:
99-81-0
Catalog Number:
AG003GOS
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$88
- +
500g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003GOS
Chemical Name:
2-Bromo-4'-nitroacetophenone
CAS Number:
99-81-0
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD00007356
IUPAC Name:
2-bromo-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChI Key:
MBUPVGIGAMCMBT-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
202-789-9
NSC Number:
9805
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
2-[(2Z)-Azepan-2-yl-idene]-1-(4-nitro-phen-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20120801
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. Journal of medicinal chemistry 20110623
Biotransformation of α-bromoacetophenones by the marine fungus Aspergillus sydowii. Marine biotechnology (New York, N.Y.) 20101001
Synthesis of alpha,beta-unsaturated ketones as chalcone analogues via a S(RN)1 mechanism. Molecules (Basel, Switzerland) 20070418
Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching. Journal of medicinal chemistry 20031023
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. Bioorganic & medicinal chemistry letters 20021104
Genetic and biochemical characterization of a novel monoterpene epsilon-lactone hydrolase from Rhodococcus erythropolis DCL14. Applied and environmental microbiology 20010201
Properties