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162509-17-3 | 5-Pyrimidinecarboxylic acid, 4-(2-chlorophenyl)-2-methyl-, ethyl ester
CAS No: 162509-17-3 Catalog No: AG001T75 MDL No:
Product Description
Catalog Number:
AG001T75
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(2-chlorophenyl)-2-methyl-, ethyl ester
CAS Number:
162509-17-3
Molecular Formula:
C14H13ClN2O2
Molecular Weight:
276.7182
IUPAC Name:
ethyl 4-(2-chlorophenyl)-2-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C14H13ClN2O2/c1-3-19-14(18)11-8-16-9(2)17-13(11)10-6-4-5-7-12(10)15/h4-8H,3H2,1-2H3
InChI Key:
BLSMKNPQEOCGOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1c1ccccc1Cl)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.72g/mol
Monoisotopic Mass:
276.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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