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887407-03-6 | Methyl 2,6-Diisopropyl-4-(4-fluorophenyl)-3-hydroxymethyl-5-methoxypyridine-3-carboxylate
CAS No: 887407-03-6 Catalog No: AG004CSB MDL No:
Product Description
Catalog Number:
AG004CSB
Chemical Name:
Methyl 2,6-Diisopropyl-4-(4-fluorophenyl)-3-hydroxymethyl-5-methoxypyridine-3-carboxylate
CAS Number:
887407-03-6
Molecular Formula:
C21H26FNO3
Molecular Weight:
359.4344
IUPAC Name:
methyl 4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C21H26FNO3/c1-12(2)19-16(11-25-5)17(14-7-9-15(22)10-8-14)18(21(24)26-6)20(23-19)13(3)4/h7-10,12-13H,11H2,1-6H3
InChI Key:
WLWQAKHXRZNEIY-UHFFFAOYSA-N
SMILES:
COCc1c(nc(c(c1c1ccc(cc1)F)C(=O)OC)C(C)C)C(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.441g/mol
Monoisotopic Mass:
359.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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