1-(2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl)-2-(hydroxymethyl)-6-methoxy-3-methyl-1,3-benzodiazol-1-ium

1-(2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl)-2-(hydroxymethyl)-6-methoxy-3-methyl-1,3-benzodiazol-1-ium

Formula: C24H22BrN2O3

SMILES: COC1=CC=C2N(C)C(CO)=[N+](CC(=O)C3=CC=C(C=C3)C3=CC=C(Br)C=C3)C2=C1

IUPAC: 3-(2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl)-2-(hydroxymethyl)-5-methoxy-1-methyl-1H-1,3-benzodiazol-3-ium

InChI: InChI=1S/C24H22BrN2O3/c1-26-21-12-11-20(30-2)13-22(21)27(24(26)15-28)14-23(29)18-5-3-16(4-6-18)17-7-9-19(25)10-8-17/h3-13,28H,14-15H2,1-2H3/q+1

Composition: C (61.81%), H (4.76%), Br (17.13%), N (6.01%), O (10.29%)

Molar Mass: 466.354

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	465.080832
Formal Charge	1
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SFNQJVZUEANTTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	131.09
Topological Polar Surface Area	55.34
Polarizability	48.55
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00