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1232059-52-7 | 4-Pyrimidinecarboxylic acid, 6-chloro-5-methyl-, ethyl ester
CAS No: 1232059-52-7 Catalog No: AG000K5S MDL No:MFCD17215889
Product Description
Catalog Number:
AG000K5S
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-chloro-5-methyl-, ethyl ester
CAS Number:
1232059-52-7
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
MDL Number:
MFCD17215889
IUPAC Name:
ethyl 6-chloro-5-methylpyrimidine-4-carboxylate
InChI:
InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)7(9)11-4-10-6/h4H,3H2,1-2H3
InChI Key:
CRWGVNPMHWCPJG-UHFFFAOYSA-N
SMILES:
Cc1c(ncnc1Cl)C(=O)OCC
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:
2.1
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