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Home Nitriles 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

CAS No.:
23819-87-6
Catalog Number:
AG003MIY
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$45
- +
5g
95%
In Stock USA
United States
$138
- +
10g
95%
In Stock USA
United States
$225
- +
25g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003MIY
Chemical Name:
5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CAS Number:
23819-87-6
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD01117224
IUPAC Name:
5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChI Key:
DFGKQCOFARYQOA-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(c(c1C)Br)C
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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
Properties