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1260674-27-8 | 2-Pyridineacetic acid, 3-fluoro-, 1,1-dimethylethyl ester
CAS No: 1260674-27-8 Catalog No: AG000R1Y MDL No:
Product Description
Catalog Number:
AG000R1Y
Chemical Name:
2-Pyridineacetic acid, 3-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1260674-27-8
Molecular Formula:
C11H14FNO2
Molecular Weight:
211.2328
IUPAC Name:
tert-butyl 2-(3-fluoropyridin-2-yl)acetate
InChI:
InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)7-9-8(12)5-4-6-13-9/h4-6H,7H2,1-3H3
InChI Key:
AOPJOCKXZSDNTB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cc1ncccc1F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.236g/mol
Monoisotopic Mass:
211.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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