tolfenamic acid

tolfenamic acid

CAS: 13710-19-5

Formula: C14H12ClNO2

SMILES: CC1=C(NC2=CC=CC=C2C(O)=O)C=CC=C1Cl

IUPAC: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid

InChI: InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

Composition: C (64.25%), H (4.62%), Cl (13.55%), N (5.35%), O (12.23%)

Molar Mass: 261.71

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	tolfenamic acid
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.0556563
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YEZNLOUZAIOMLT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	71.65
Topological Polar Surface Area	49.33
Polarizability	27.02
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.56%	<7 Days	13710-19-5		$51.43-$185.13$51.43$73.87$185.13