1-(1-bromoethyl)-3-(trifluoromethyl)benzene

1-(1-bromoethyl)-3-(trifluoromethyl)benzene

CAS: 59770-96-6

Formula: C9H8BrF3

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

IUPAC: 1-(1-bromoethyl)-3-(trifluoromethyl)benzene

InChI: InChI=1/C9H8BrF3/c1-6(10)7-3-2-4-8(5-7)9(11,12)13/h2-6H,1H3

Composition: C (42.72%), H (3.19%), Br (31.57%), F (22.52%)

Molar Mass: 253.062

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.976148
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	AJBWDFPJLDDEPQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.3
Topological Polar Surface Area	0
Polarizability	18.09
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	59770-96-6		$100.88-$109.71$100.88$109.71