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tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate

CAS: 1057720-35-0

Formula: C12H13BrF3NO3

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

IUPAC: tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate

InChI: InChI=1S/C12H13BrF3NO3/c1-11(2,3)20-10(18)17-9-5-4-7(6-8(9)13)19-12(14,15)16/h4-6H,1-3H3,(H,17,18)

Composition: C (40.47%), H (3.68%), Br (22.44%), F (16.00%), N (3.93%), O (13.48%)

Molar Mass: 356.139

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 355.003091
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OYIFDFJTMKUHTB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 67.04
Topological Polar Surface Area 47.56
Polarizability 26.49
Ring Count 1
Rotatable Bond Count 5

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