tert-butyl N-{[4-bromo-2-(trifluoromethyl)phenyl]methyl}carbamate

tert-butyl N-{[4-bromo-2-(trifluoromethyl)phenyl]methyl}carbamate

Formula: C13H15BrF3NO2

SMILES: CC(C)(C)OC(=O)NCC1=C(C=C(Br)C=C1)C(F)(F)F

IUPAC: tert-butyl N-{[4-bromo-2-(trifluoromethyl)phenyl]methyl}carbamate

InChI: InChI=1S/C13H15BrF3NO2/c1-12(2,3)20-11(19)18-7-8-4-5-9(14)6-10(8)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)

Composition: C (44.09%), H (4.27%), Br (22.56%), F (16.09%), N (3.95%), O (9.03%)

Molar Mass: 354.167

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.023826
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XNMRQRVXZUVBSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73
Topological Polar Surface Area	38.33
Polarizability	27.48
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H15BrF3NO2		Quote Only