tert-butyl N-[3-bromo-4-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[3-bromo-4-(trifluoromethoxy)phenyl]carbamate

CAS: 839715-01-4

Formula: C12H13BrF3NO3

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

IUPAC: tert-butyl N-[3-bromo-4-(trifluoromethoxy)phenyl]carbamate

InChI: InChI=1S/C12H13BrF3NO3/c1-11(2,3)20-10(18)17-7-4-5-9(8(13)6-7)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	QAJMRVGJMJHWTH-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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