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23586-98-3 | 3-Pyridinecarboxylic acid, 5-fluoro-, 2-(dimethylamino)ethyl ester
CAS No: 23586-98-3 Catalog No: AG002NSD MDL No:
Product Description
Catalog Number:
AG002NSD
Chemical Name:
3-Pyridinecarboxylic acid, 5-fluoro-, 2-(dimethylamino)ethyl ester
CAS Number:
23586-98-3
Molecular Formula:
C10H13FN2O2
Molecular Weight:
212.2208
IUPAC Name:
2-(dimethylamino)ethyl 5-fluoropyridine-3-carboxylate
InChI:
InChI=1S/C10H13FN2O2/c1-13(2)3-4-15-10(14)8-5-9(11)7-12-6-8/h5-7H,3-4H2,1-2H3
InChI Key:
YMMBHKNLOOIXRY-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)c1cncc(c1)F)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.224g/mol
Monoisotopic Mass:
212.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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