2-bromo-N-methyl-5-(trifluoromethoxy)aniline hydrochloride

2-bromo-N-methyl-5-(trifluoromethoxy)aniline hydrochloride

CAS: 1215206-76-0

Formula: C8H8BrClF3NO

SMILES: Cl.CNC1=CC(OC(F)(F)F)=CC=C1Br

IUPAC: 2-bromo-N-methyl-5-(trifluoromethoxy)aniline hydrochloride

InChI: InChI=1S/C8H7BrF3NO.ClH/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12;/h2-4,13H,1H3;1H

Composition: C (31.35%), H (2.63%), Br (26.07%), Cl (11.57%), F (18.60%), N (4.57%), O (5.22%)

Molar Mass: 306.51

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.942989
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BXTPTZKPUINLLO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.94
Topological Polar Surface Area	21.26
Polarizability	18.41
Ring Count	1
Rotatable Bond Count	3

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