3-bromo-N-tert-butyl-4-fluorobenzamide

3-bromo-N-tert-butyl-4-fluorobenzamide

CAS: 1033201-68-1

Formula: C11H13BrFNO

SMILES: CC(C)(C)NC(=O)C1=CC=C(F)C(Br)=C1

IUPAC: 3-bromo-N-tert-butyl-4-fluorobenzamide

InChI: InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)

Composition: C (48.20%), H (4.78%), Br (29.15%), F (6.93%), N (5.11%), O (5.84%)

Molar Mass: 274.133

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.016455
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DCQTUUIYIQBVMU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.68
Topological Polar Surface Area	29.1
Polarizability	23.11
Ring Count	1
Rotatable Bond Count	2

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