N-(cyanomethyl)-4-fluorobenzamide

N-(cyanomethyl)-4-fluorobenzamide

Formula: C9H7FN2O

SMILES: FC1=CC=C(C=C1)C(=O)NCC#N

IUPAC: N-(cyanomethyl)-4-fluorobenzamide

InChI: InChI=1S/C9H7FN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,6H2,(H,12,13)

Composition: C (60.67%), H (3.96%), F (10.66%), N (15.72%), O (8.98%)

Molar Mass: 178.166

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.054241016
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AGNARNRHXPDUFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.31
Topological Polar Surface Area	52.89
Polarizability	16.43
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H7FN2O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00