4-bromo-2-nitro-1-(trifluoromethoxy)benzene

4-bromo-2-nitro-1-(trifluoromethoxy)benzene

CAS: 95668-20-5

Formula: C7H3BrF3NO3

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

IUPAC: 4-bromo-2-nitro-1-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H

Composition: C (29.40%), H (1.06%), Br (27.94%), F (19.93%), N (4.90%), O (16.78%)

Molar Mass: 286.004

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.92484
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OIGUXYDXDJIDCY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.07
Topological Polar Surface Area	52.37
Polarizability	17.69
Ring Count	1
Rotatable Bond Count	3

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