1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene

1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene

CAS: 229957-08-8

Formula: C8H2BrF6NO2

SMILES: [O-][N+](=O)C1=CC(=C(C=C1Br)C(F)(F)F)C(F)(F)F

IUPAC: 1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene

InChI: InChI=1S/C8H2BrF6NO2/c9-5-1-3(7(10,11)12)4(8(13,14)15)2-6(5)16(17)18/h1-2H

Composition: C (28.43%), H (0.60%), Br (23.64%), F (33.72%), N (4.14%), O (9.47%)

Molar Mass: 338.003

Atom Count: 20

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	336.91731
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JIJNLAOEXTXBRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.95
Topological Polar Surface Area	43.14
Polarizability	18.73
Ring Count	1
Rotatable Bond Count	3

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97%	<2 Days	229957-08-8		$1,147.70-$7,912.00$1,147.70$2,162.00$7,912.00