Home Halogens ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

CAS No.:
475042-34-3
Catalog Number:
AG019PQG
Molecular Formula:
C14H14Cl2N2O3
Molecular Weight:
329.1786
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Product Description
Catalog Number:
AG019PQG
Chemical Name:
ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS Number:
475042-34-3
Molecular Formula:
C14H14Cl2N2O3
Molecular Weight:
329.1786
MDL Number:
MFCD00749772
IUPAC Name:
ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H14Cl2N2O3/c1-2-21-13(19)11-10(7-15)17-14(20)18-12(11)8-3-5-9(16)6-4-8/h3-6,12H,2,7H2,1H3,(H2,17,18,20)
InChI Key:
AYKPHOAZINULIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CCl)NC(=O)NC1c1ccc(cc1)Cl
Properties
Complexity:
446  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.038g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.177g/mol
Monoisotopic Mass:
328.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties