tert-butyl N-[(2-bromo-4-fluorophenyl)methyl]-N-methylcarbamate

tert-butyl N-[(2-bromo-4-fluorophenyl)methyl]-N-methylcarbamate

Formula: C13H17BrFNO2

SMILES: CN(CC1=C(Br)C=C(F)C=C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(2-bromo-4-fluorophenyl)methyl]-N-methylcarbamate

InChI: InChI=1S/C13H17BrFNO2/c1-13(2,3)18-12(17)16(4)8-9-5-6-10(15)7-11(9)14/h5-7H,8H2,1-4H3

Composition: C (49.07%), H (5.39%), Br (25.11%), F (5.97%), N (4.40%), O (10.06%)

Molar Mass: 318.186

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	317.04267
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MADSQOLQUGFQHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.14
Topological Polar Surface Area	29.54
Polarizability	27.68
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17BrFNO2		Quote Only