2-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzonitrile

2-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzonitrile

Formula: C13H8N2O3

SMILES: [O-][N+](=O)C=CC1=CC=C(O1)C1=CC=CC=C1C#N

IUPAC: 2-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzonitrile

InChI: InChI=1S/C13H8N2O3/c14-9-10-3-1-2-4-12(10)13-6-5-11(18-13)7-8-15(16)17/h1-8H/b8-7+

Composition: C (65.00%), H (3.36%), N (11.66%), O (19.98%)

Molar Mass: 240.218

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.053492126
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OXMHHJWSOCCTNL-BQYQJAHWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.17
Topological Polar Surface Area	80.07
Polarizability	25.32
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H8N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00