6-(trifluoromethoxy)naphthalene-2-carboxylic acid

6-(trifluoromethoxy)naphthalene-2-carboxylic acid

CAS: 403646-84-4

Formula: C12H7F3O3

SMILES: OC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2C=C1

IUPAC: 6-(trifluoromethoxy)naphthalene-2-carboxylic acid

InChI: InChI=1S/C12H7F3O3/c13-12(14,15)18-10-4-3-7-5-9(11(16)17)2-1-8(7)6-10/h1-6H,(H,16,17)

Composition: C (56.26%), H (2.75%), F (22.25%), O (18.74%)

Molar Mass: 256.18

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.034728574
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GSVXMGQJPJBRHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.83
Topological Polar Surface Area	46.53
Polarizability	21.97
Ring Count	2
Rotatable Bond Count	3

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96%	<2 Days	403646-84-4		$342.70-$6,897.70$342.70$572.70$802.70$1,147.70$1,817.00$6,897.70