2-(4-bromo-3-fluorophenyl)-2-methylpropanenitrile

2-(4-bromo-3-fluorophenyl)-2-methylpropanenitrile

Formula: C10H9BrFN

SMILES: CC(C)(C#N)C1=CC(F)=C(Br)C=C1

IUPAC: 2-(4-bromo-3-fluorophenyl)-2-methylpropanenitrile

InChI: InChI=1S/C10H9BrFN/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3

Composition: C (49.61%), H (3.75%), Br (33.01%), F (7.85%), N (5.79%)

Molar Mass: 242.091

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.99024
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DWEDOPCRNZUBHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.26
Topological Polar Surface Area	23.79
Polarizability	20.08
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H9BrFN		Quote Only