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Home Halogens 4,6-Dichloro-5-pyrimidinecarbaldehyde

4,6-Dichloro-5-pyrimidinecarbaldehyde

CAS No.:
5305-40-8
Catalog Number:
AG003KJD
Molecular Formula:
C5H2Cl2N2O
Molecular Weight:
176.9882
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$107
- +
100g
95%
In Stock USA
United States
$313
- +
500g
95%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG003KJD
Chemical Name:
4,6-Dichloro-5-pyrimidinecarbaldehyde
CAS Number:
5305-40-8
Molecular Formula:
C5H2Cl2N2O
Molecular Weight:
176.9882
MDL Number:
MFCD02257701
IUPAC Name:
4,6-dichloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
InChI Key:
XQSJHQXYQAUDFC-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)ncnc1Cl
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.954g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.984g/mol
Monoisotopic Mass:
175.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis of highly substituted 2,3-dihydropyrimido[4,5-d]pyrimidin-4(1H)-ones from 4,6-dichloro-5-formylpyrimidine, amines and aldehydes. Molecular diversity 20111101
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
Properties