3-(1-amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride

3-(1-amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride

CAS: 1391384-65-8

Formula: C9H9ClF3NO2

SMILES: Cl.NC(C1=CC(=CC=C1)C(O)=O)C(F)(F)F

IUPAC: 3-(1-amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride

InChI: InChI=1/C9H8F3NO2.ClH/c10-9(11,12)7(13)5-2-1-3-6(4-5)8(14)15;/h1-4,7H,13H2,(H,14,15);1H

Composition: C (42.29%), H (3.55%), Cl (13.87%), F (22.30%), N (5.48%), O (12.52%)

Molar Mass: 255.62

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.0273907
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PGVLYBVVIMPTQZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.91
Topological Polar Surface Area	63.32
Polarizability	17.33
Ring Count	1
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1391384-65-8		$51.35-$9,128.93$51.35$63.37$86.31$1,141.66$5,134.75$9,128.93