2-(4-bromophenoxy)-6-(trifluoromethyl)pyridine

2-(4-bromophenoxy)-6-(trifluoromethyl)pyridine

CAS: 1086376-15-9

Formula: C12H7BrF3NO

SMILES: FC(F)(F)C1=CC=CC(OC2=CC=C(Br)C=C2)=N1

IUPAC: 2-(4-bromophenoxy)-6-(trifluoromethyl)pyridine

InChI: InChI=1S/C12H7BrF3NO/c13-8-4-6-9(7-5-8)18-11-3-1-2-10(17-11)12(14,15)16/h1-7H

Composition: C (45.31%), H (2.22%), Br (25.12%), F (17.92%), N (4.40%), O (5.03%)

Molar Mass: 318.093

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.966311
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NXNINSYTRHJREQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.68
Topological Polar Surface Area	22.12
Polarizability	23.91
Ring Count	2
Rotatable Bond Count	3

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