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823796-36-7 | 5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-methoxyphenyl)-, ethyl ester
CAS No: 823796-36-7 Catalog No: AG0053B5 MDL No:
Product Description
Catalog Number:
AG0053B5
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-methoxyphenyl)-, ethyl ester
CAS Number:
823796-36-7
Molecular Formula:
C14H13ClN2O3
Molecular Weight:
292.7176
IUPAC Name:
ethyl 4-chloro-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H13ClN2O3/c1-3-20-14(18)10-8-16-13(17-12(10)15)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3
InChI Key:
FMBQHDSCXQTGQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Cl)c1ccccc1OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.719g/mol
Monoisotopic Mass:
292.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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