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116241-59-9 | 3-Pyridinecarboxylic acid, 6-fluoro-, ethyl ester
CAS No: 116241-59-9 Catalog No: AG000C0E MDL No:MFCD12756554
Product Description
Catalog Number:
AG000C0E
Chemical Name:
3-Pyridinecarboxylic acid, 6-fluoro-, ethyl ester
CAS Number:
116241-59-9
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD12756554
IUPAC Name:
ethyl 6-fluoropyridine-3-carboxylate
InChI:
InChI=1S/C8H8FNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI Key:
SWIMQDNPJDCTLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)F
Properties
Complexity:
163
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:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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