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tert-butyl N-[2-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[2-(trifluoromethoxy)phenyl]carbamate

CAS: 561304-39-0

Formula: C12H14F3NO3

SMILES: CC(C)(C)OC(=O)NC1=C(OC(F)(F)F)C=CC=C1

IUPAC: tert-butyl N-[2-(trifluoromethoxy)phenyl]carbamate

InChI: InChI=1S/C12H14F3NO3/c1-11(2,3)19-10(17)16-8-6-4-5-7-9(8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)

Composition: C (51.99%), H (5.09%), F (20.56%), N (5.05%), O (17.31%)

Molar Mass: 277.243

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.092577804
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NFYIFHKKXHUGPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.42
Topological Polar Surface Area 47.56
Polarizability 23.38
Ring Count 1
Rotatable Bond Count 5

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