tert-butyl 3,5-difluorobenzoate

tert-butyl 3,5-difluorobenzoate

CAS: 467442-11-1

Formula: C11H12F2O2

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

IUPAC: tert-butyl 3,5-difluorobenzoate

InChI: InChI=1S/C11H12F2O2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3

Composition: C (61.68%), H (5.65%), F (17.74%), O (14.94%)

Molar Mass: 214.212

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.080535952
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NHVCNYLYDFGIJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.32
Topological Polar Surface Area 26.3
Polarizability 19.71
Ring Count 1
Rotatable Bond Count 3

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