1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone

1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone

CAS: 617706-15-7

Formula: C8H3BrF4O

SMILES: FC1=C(C=C(Br)C=C1)C(=O)C(F)(F)F

IUPAC: 1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-one

InChI: InChI=1S/C8H3BrF4O/c9-4-1-2-6(10)5(3-4)7(14)8(11,12)13/h1-3H

Composition: C (35.46%), H (1.12%), Br (29.48%), F (28.04%), O (5.90%)

Molar Mass: 271.009

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.93034
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DBEXLGFRBKOYBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.31
Topological Polar Surface Area	17.07
Polarizability	16.63
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.23%	<7 Days	617706-15-7		$75.74-$198.22$75.74$85.09$198.22