3-amino-2-(2-fluorophenyl)propanoic acid hydrochloride

3-amino-2-(2-fluorophenyl)propanoic acid hydrochloride

CAS: 1017788-05-4

Formula: C9H11ClFNO2

SMILES: Cl[H].NCC(C(O)=O)C1=CC=CC=C1F

IUPAC: 3-amino-2-(2-fluorophenyl)propanoic acid hydrochloride

InChI: InChI=1/C9H10FNO2.ClH/c10-8-4-2-1-3-6(8)7(5-11)9(12)13;/h1-4,7H,5,11H2,(H,12,13);1H

Composition: C (49.22%), H (5.05%), Cl (16.14%), F (8.65%), N (6.38%), O (14.57%)

Molar Mass: 219.64

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.0462345
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CLRANBBUBZIPGS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.59
Topological Polar Surface Area	63.32
Polarizability	17.6
Ring Count	1
Rotatable Bond Count	3

Suppliers

Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1017788-05-4		$238.08-$563.52$238.08$352.32$563.52