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1803821-90-0 | 4-Pyridinecarboxylic acid, 3-fluoro-5-methyl-, methyl ester
CAS No: 1803821-90-0 Catalog No: AG0021XT MDL No:
Product Description
Catalog Number:
AG0021XT
Chemical Name:
4-Pyridinecarboxylic acid, 3-fluoro-5-methyl-, methyl ester
CAS Number:
1803821-90-0
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
IUPAC Name:
methyl 3-fluoro-5-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H8FNO2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:
NVJYTGPBZODHPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cncc1F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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