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122252-67-9 | 3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)-2,6-dimethyl-, methyl ester
CAS No: 122252-67-9 Catalog No: AG0016ZX MDL No:
Product Description
Catalog Number:
AG0016ZX
Chemical Name:
3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)-2,6-dimethyl-, methyl ester
CAS Number:
122252-67-9
Molecular Formula:
C15H14FNO2
Molecular Weight:
259.2756
IUPAC Name:
methyl 4-(4-fluorophenyl)-2,6-dimethylpyridine-3-carboxylate
InChI:
InChI=1S/C15H14FNO2/c1-9-8-13(11-4-6-12(16)7-5-11)14(10(2)17-9)15(18)19-3/h4-8H,1-3H3
InChI Key:
FDOSNDLZHFVRMF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)nc(cc1c1ccc(cc1)F)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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