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123794-64-9 | Pyrimidine, 4-chloro-2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 123794-64-9 Catalog No: AG000L3Y MDL No:
Product Description
Catalog Number:
AG000L3Y
Chemical Name:
Pyrimidine, 4-chloro-2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
123794-64-9
Molecular Formula:
C15H17ClN2O4
Molecular Weight:
324.7595
IUPAC Name:
4-chloro-2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
InChI:
InChI=1S/C15H17ClN2O4/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(16)18-15(17-10)22-4/h6-8H,5H2,1-4H3
InChI Key:
DRAURIOHXMXMFM-UHFFFAOYSA-N
SMILES:
COc1nc(cc(n1)Cl)Cc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.761g/mol
Monoisotopic Mass:
324.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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