1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

CAS: 16883-69-5

Formula: C13H12BrNO

SMILES: [Br-].O=C(C[N+]1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

InChI: InChI=1S/C13H12NO.BrH/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1

Composition: C (56.14%), H (4.35%), Br (28.73%), N (5.04%), O (5.75%)

Molar Mass: 278.149

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.010227
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PXSUMUYPXZEXDT-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	59.96
Topological Polar Surface Area	20.95
Polarizability	23.01
Ring Count	2
Rotatable Bond Count	3

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