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1253383-91-3 | 3-Pyridinecarboxylic acid, 5-fluoro-6-methyl-, methyl ester
CAS No: 1253383-91-3 Catalog No: AG000NHT MDL No:MFCD18803129
Product Description
Catalog Number:
AG000NHT
Chemical Name:
3-Pyridinecarboxylic acid, 5-fluoro-6-methyl-, methyl ester
CAS Number:
1253383-91-3
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD18803129
IUPAC Name:
methyl 5-fluoro-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H8FNO2/c1-5-7(9)3-6(4-10-5)8(11)12-2/h3-4H,1-2H3
InChI Key:
ZFIHBTMALUQXAL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)F)C
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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