3-chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

3-chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261855-01-9

Formula: C14H8ClF3O3

SMILES: OC(=O)C1=CC=C(C=C1Cl)C1=CC=CC(OC(F)(F)F)=C1

IUPAC: 3-chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C14H8ClF3O3/c15-12-7-9(4-5-11(12)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20)

Composition: C (53.10%), H (2.55%), Cl (11.19%), F (18.00%), O (15.16%)

Molar Mass: 316.66

Atom Count: 29

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.0114063
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YWSSYPOIKAREHE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	66.33
Topological Polar Surface Area	46.53
Polarizability	27.33
Ring Count	2
Rotatable Bond Count	4

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	1261855-01-9		$409.40-$1,713.50$409.40$1,061.45$1,713.50