(2E)-2-cyano-3-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

(2E)-2-cyano-3-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

Formula: C17H12FN3O3

SMILES: CC1=CC=C(C=C1NC(=O)C(=CC1=CC=C(F)C=C1)C#N)[N+]([O-])=O

IUPAC: (2E)-2-cyano-3-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C17H12FN3O3/c1-11-2-7-15(21(23)24)9-16(11)20-17(22)13(10-19)8-12-3-5-14(18)6-4-12/h2-9H,1H3,(H,20,22)/b13-8+

Composition: C (62.77%), H (3.72%), F (5.84%), N (12.92%), O (14.75%)

Molar Mass: 325.299

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	325.086269421
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YOHSCARYTFVKKY-MDWZMJQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.97
Topological Polar Surface Area	96.03
Polarizability	31.43
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12FN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00