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155702-14-0 | 2,3-Pyridinedicarboxylic acid, 5-fluoro-, 2,3-dimethyl ester
CAS No: 155702-14-0 Catalog No: AG001O4J MDL No:
Product Description
Catalog Number:
AG001O4J
Chemical Name:
2,3-Pyridinedicarboxylic acid, 5-fluoro-, 2,3-dimethyl ester
CAS Number:
155702-14-0
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
IUPAC Name:
dimethyl 5-fluoropyridine-2,3-dicarboxylate
InChI:
InChI=1S/C9H8FNO4/c1-14-8(12)6-3-5(10)4-11-7(6)9(13)15-2/h3-4H,1-2H3
InChI Key:
UYCFMOIVNGROIO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1C(=O)OC)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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