4'-tert-butyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid

4'-tert-butyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261954-92-0

Formula: C17H17FO2

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1F)C(O)=O

IUPAC: 4'-tert-butyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C17H17FO2/c1-17(2,3)13-7-4-11(5-8-13)14-9-6-12(16(19)20)10-15(14)18/h4-10H,1-3H3,(H,19,20)

Composition: C (74.98%), H (6.29%), F (6.98%), O (11.75%)

Molar Mass: 272.319

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	272.12125795
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AAAKUFCDNYZEHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.33
Topological Polar Surface Area	37.3
Polarizability	30.54
Ring Count	2
Rotatable Bond Count	3

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98%	<6 Days	1261954-92-0		$409.40-$1,713.50$409.40$1,061.45$1,713.50