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188781-08-0 | 5-Pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester
CAS No: 188781-08-0 Catalog No: AG002HBH MDL No:MFCD03425963
Product Description
Catalog Number:
AG002HBH
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester
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 |
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