[4-chloro-3-(trifluoromethoxy)phenyl]methanol

[4-chloro-3-(trifluoromethoxy)phenyl]methanol

CAS: 886500-89-6

Formula: C8H6ClF3O2

SMILES: OCC1=CC(OC(F)(F)F)=C(Cl)C=C1

IUPAC: [4-chloro-3-(trifluoromethoxy)phenyl]methanol

InChI: InChI=1S/C8H6ClF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3,13H,4H2

Composition: C (42.41%), H (2.67%), Cl (15.65%), F (25.15%), O (14.12%)

Molar Mass: 226.58

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.0008416
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AQFVCOVRKUVQTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.75
Topological Polar Surface Area	29.46
Polarizability	16.81
Ring Count	1
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	886500-89-6		$51.35-$792.06$51.35$63.37$86.31$529.86$792.06

Kinentia Biosciences LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<14 Days	886500-89-6		$94.50-$354.38$94.50$354.38