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Home Halogens 4,6-Dichloropyrimidine

4,6-Dichloropyrimidine

CAS No.:
1193-21-1
Catalog Number:
AG000IJB
Molecular Formula:
C4H2Cl2N2
Molecular Weight:
148.9781
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$19
- +
100g
96%
In Stock USA
United States
$50
- +
500g
96%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG000IJB
Chemical Name:
4,6-Dichloropyrimidine
CAS Number:
1193-21-1
Molecular Formula:
C4H2Cl2N2
Molecular Weight:
148.9781
MDL Number:
MFCD12923091
IUPAC Name:
4,6-dichloropyrimidine
InChI:
InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChI Key:
XJPZKYIHCLDXST-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)Cl
EC Number:
214-770-2
NSC Number:
37530
Properties
Complexity:
70.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.96g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.974g/mol
Monoisotopic Mass:
147.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. Journal of medicinal chemistry 20111222
Molecular structure, harmonic and anharmonic frequency calculations of 2,4-dichloropyrimidine and 4,6-dichloropyrimidine by HF and density functional methods. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110501
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
meso-Pyrimidinyl-substituted A2B- and A3-corroles. The Journal of organic chemistry 20100319
Synthesis and highly selective bromination of Azacalix[4]pyrimidine macrocycles. The Journal of organic chemistry 20100205
1,4-Bis(6-chloro-pyrimidin-4-yl-oxy)benzene. Acta crystallographica. Section E, Structure reports online 20090201
Comparative computational and experimental study on the thermochemistry of the chloropyrimidines. The journal of physical chemistry. B 20070201
Allosteric inhibitors of Bcr-abl-dependent cell proliferation. Nature chemical biology 20060201
5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions. Organic & biomolecular chemistry 20040321
Properties