3-amino-N-(4-fluorophenyl)propanamide hydrochloride

3-amino-N-(4-fluorophenyl)propanamide hydrochloride

CAS: 1220035-45-9

Formula: C9H12ClFN2O

SMILES: Cl.NCCC(=O)NC1=CC=C(F)C=C1

IUPAC: 3-amino-N-(4-fluorophenyl)propanamide hydrochloride

InChI: InChI=1S/C9H11FN2O.ClH/c10-7-1-3-8(4-2-7)12-9(13)5-6-11;/h1-4H,5-6,11H2,(H,12,13);1H

Composition: C (49.44%), H (5.53%), Cl (16.21%), F (8.69%), N (12.81%), O (7.32%)

Molar Mass: 218.66

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.0622189
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OIGOMLASAVYITL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.2
Topological Polar Surface Area	55.12
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1220035-45-9		$58.65-$232.30$58.65$232.30