2-[5-(4-bromophenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine

2-[5-(4-bromophenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine

Formula: C14H11BrN4O

SMILES: BrC1=CC=C(OCC2=NC(=NN2)C2=CC=CC=N2)C=C1

IUPAC: 2-{5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl}pyridine

InChI: InChI=1S/C14H11BrN4O/c15-10-4-6-11(7-5-10)20-9-13-17-14(19-18-13)12-3-1-2-8-16-12/h1-8H,9H2,(H,17,18,19)

Composition: C (50.78%), H (3.35%), Br (24.13%), N (16.92%), O (4.83%)

Molar Mass: 331.173

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	330.011624
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PGBIOSQIULJKPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.83
Topological Polar Surface Area	63.69
Polarizability	30.51
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11BrN4O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00