5-(trifluoromethyl)isoquinoline-8-carboxylic acid

5-(trifluoromethyl)isoquinoline-8-carboxylic acid

Formula: C11H6F3NO2

SMILES: OC(=O)C1=CC=C(C2=CC=NC=C12)C(F)(F)F

IUPAC: 5-(trifluoromethyl)isoquinoline-8-carboxylic acid

InChI: InChI=1S/C11H6F3NO2/c12-11(13,14)9-2-1-7(10(16)17)8-5-15-4-3-6(8)9/h1-5H,(H,16,17)

Composition: C (54.78%), H (2.51%), F (23.63%), N (5.81%), O (13.27%)

Molar Mass: 241.169

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.035062926
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XXTQFFGNGYFTGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.58
Topological Polar Surface Area	50.19
Polarizability	20.4
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H6F3NO2		Quote Only