methyl 4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]benzoate

methyl 4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]benzoate

Formula: C17H12FN3O3

SMILES: COC(=O)C1=CC=C(C=NNC(=O)C2=CC=C(C=C2F)C#N)C=C1

IUPAC: methyl 4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]benzoate

InChI: InChI=1S/C17H12FN3O3/c1-24-17(23)13-5-2-11(3-6-13)10-20-21-16(22)14-7-4-12(9-19)8-15(14)18/h2-8,10H,1H3,(H,21,22)/b20-10+

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	XVVVFLSOQJBZOD-KEBDBYFISA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.2
Topological Polar Surface Area	91.55
Polarizability	31.3
Ring Count	2
Rotatable Bond Count	5

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