nicotinanilide hydrochloride

nicotinanilide hydrochloride

CAS: 69135-90-6

Formula: C12H11ClN2O

SMILES: Cl.O=C(NC1=CC=CC=C1)C1=CN=CC=C1

IUPAC: N-phenylpyridine-3-carboxamide hydrochloride

InChI: InChI=1S/C12H10N2O.ClH/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;/h1-9H,(H,14,15);1H

Composition: C (61.42%), H (4.72%), Cl (15.11%), N (11.94%), O (6.82%)

Molar Mass: 234.68

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.0559907
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SQFVWDGIESXVGY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.43
Topological Polar Surface Area	41.99
Polarizability	22.04
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	69135-90-6		$287.98$287.98