1-(4-methylphenoxy)-4-phenylphthalazine

1-(4-methylphenoxy)-4-phenylphthalazine

CAS: 76972-44-6

Formula: C21H16N2O

SMILES: CC1=CC=C(OC2=C3C=CC=CC3=C(N=N2)C2=CC=CC=C2)C=C1

IUPAC: 1-(4-methylphenoxy)-4-phenylphthalazine

InChI: InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)24-21-19-10-6-5-9-18(19)20(22-23-21)16-7-3-2-4-8-16/h2-14H,1H3

Composition: C (80.75%), H (5.16%), N (8.97%), O (5.12%)

Molar Mass: 312.372

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	312.126263143
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NMQQXMBZDOOJDH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.57
Topological Polar Surface Area	35.01
Polarizability	39.3
Ring Count	4
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	76972-44-6		$51.35-$86.31$51.35$63.37$86.31