4-bromo-2-nitro-6-(trifluoromethyl)aniline

4-bromo-2-nitro-6-(trifluoromethyl)aniline

CAS: 157026-18-1

Formula: C7H4BrF3N2O2

SMILES: NC1=C(C=C(Br)C=C1C(F)(F)F)[N+]([O-])=O

IUPAC: 4-bromo-2-nitro-6-(trifluoromethyl)aniline

InChI: InChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2

Composition: C (29.50%), H (1.41%), Br (28.03%), F (20.00%), N (9.83%), O (11.23%)

Molar Mass: 285.02

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.940825
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JWIAFKYOENFPNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.68
Topological Polar Surface Area	69.16
Polarizability	18.05
Ring Count	1
Rotatable Bond Count	2

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