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Home Halogens Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

CAS No.:
188781-08-0
Catalog Number:
AG002HBH
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$75
- +
1g
97%
1 week
United States
$182
- +
Product Description
Catalog Number:
AG002HBH
Chemical Name:
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CAS Number:
188781-08-0
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
MDL Number:
MFCD03425963
IUPAC Name:
ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3
InChI Key:
XJNJPQSXRUJCIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C)Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity. European journal of medicinal chemistry 20110601
Properties