2,6-difluoro-4-(trifluoromethyl)benzoic acid

2,6-difluoro-4-(trifluoromethyl)benzoic acid

CAS: 1309597-24-7

Formula: C8H3F5O2

SMILES: OC(=O)C1=C(F)C=C(C=C1F)C(F)(F)F

IUPAC: 2,6-difluoro-4-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H3F5O2/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H,14,15)

Composition: C (42.50%), H (1.34%), F (42.01%), O (14.15%)

Molar Mass: 226.102

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.005320152
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RYWDDEGVJSAZLQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.72
Topological Polar Surface Area	37.3
Polarizability	13.98
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1309597-24-7		$78.18-$282.46$78.18$116.01$282.46