2-{[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene}propanedinitrile

2-{[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene}propanedinitrile

Formula: C21H13BrN2O

SMILES: BrC1=CC=C(OCC2=CC=CC3=CC=CC=C23)C(C=C(C#N)C#N)=C1

IUPAC: 2-({5-bromo-2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile

InChI: InChI=1S/C21H13BrN2O/c22-19-8-9-21(18(11-19)10-15(12-23)13-24)25-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-11H,14H2

Composition: C (64.80%), H (3.37%), Br (20.53%), N (7.20%), O (4.11%)

Molar Mass: 389.252

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	388.021126
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NBNLOKKTVGDYBV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.24
Topological Polar Surface Area	56.81
Polarizability	39.39
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H13BrN2O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00