4-bromo-2-nitro-5-(trifluoromethyl)phenol

4-bromo-2-nitro-5-(trifluoromethyl)phenol

CAS: 1613719-77-9

Formula: C7H3BrF3NO3

SMILES: OC1=C(C=C(Br)C(=C1)C(F)(F)F)[N+]([O-])=O

IUPAC: 4-bromo-2-nitro-5-(trifluoromethyl)phenol

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

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	1
InChIKey	INASGCATEGHAOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.96
Topological Polar Surface Area	63.37
Polarizability	17.62
Ring Count	1
Rotatable Bond Count	2

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