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79614-52-1 | ETHYL 4-CHLORO-2-ETHOXYPYRIMIDINE-5-CARBOXYLATE
CAS No: 79614-52-1 Catalog No: AG005IO8 MDL No:
Product Description
Catalog Number:
AG005IO8
Chemical Name:
ETHYL 4-CHLORO-2-ETHOXYPYRIMIDINE-5-CARBOXYLATE
CAS Number:
79614-52-1
Molecular Formula:
C9H11ClN2O3
Molecular Weight:
230.6482
IUPAC Name:
ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
InChI:
InChI=1S/C9H11ClN2O3/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3
InChI Key:
GRLKBTHCYBPJBT-UHFFFAOYSA-N
SMILES:
CCOc1ncc(c(n1)Cl)C(=O)OCC
EC Number:
279-197-2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.648g/mol
Monoisotopic Mass:
230.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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