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tert-butyl 6-fluoropyridine-3-carboxylate

tert-butyl 6-fluoropyridine-3-carboxylate

CAS: 676560-01-3

Formula: C10H12FNO2

SMILES: CC(C)(C)OC(=O)C1=CC=C(F)N=C1

IUPAC: tert-butyl 6-fluoropyridine-3-carboxylate

InChI: InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3

Composition: C (60.90%), H (6.13%), F (9.63%), N (7.10%), O (16.23%)

Molar Mass: 197.209

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.085206793
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RZWMKWGTXCIWLV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.96
Topological Polar Surface Area 39.19
Polarizability 19.09
Ring Count 1
Rotatable Bond Count 3

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