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122433-52-7 | 3-Pyridinecarboxylic acid, 5-fluoro-2-methoxy-, methyl ester
CAS No: 122433-52-7 Catalog No: AG00177U MDL No:MFCD14698160
Product Description
Catalog Number:
AG00177U
Chemical Name:
3-Pyridinecarboxylic acid, 5-fluoro-2-methoxy-, methyl ester
CAS Number:
122433-52-7
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
MDL Number:
MFCD14698160
IUPAC Name:
methyl 5-fluoro-2-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C8H8FNO3/c1-12-7-6(8(11)13-2)3-5(9)4-10-7/h3-4H,1-2H3
InChI Key:
DDKRCQZGZYDVLM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cnc1OC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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