(2S)-2-amino-2-(3-chloro-4-fluorophenyl)ethanol

(2S)-2-amino-2-(3-chloro-4-fluorophenyl)ethanol

CAS: 496856-52-1

Formula: C8H9ClFNO

SMILES: N[C@H](CO)C1=CC(Cl)=C(F)C=C1

IUPAC: (2S)-2-amino-2-(3-chloro-4-fluorophenyl)ethan-1-ol

InChI: InChI=1S/C8H9ClFNO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2/t8-/m1/s1

Composition: C (50.68%), H (4.78%), Cl (18.70%), F (10.02%), N (7.39%), O (8.44%)

Molar Mass: 189.61

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	189.0356698
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CYZCJADBZVABTN-MRVPVSSYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.52
Topological Polar Surface Area	46.25
Polarizability	17.77
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	496856-52-1		$129.03-$1,612.88$129.03$191.68$661.05$1,612.88