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

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

CAS: 1269053-24-8

Formula: C9H12ClFN2O

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

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

InChI: InChI=1S/C9H11FN2O.ClH/c10-7-2-1-3-8(6-7)12-9(13)4-5-11;/h1-3,6H,4-5,11H2,(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 FFZITRGITJOSRB-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 1269053-24-8 $58.65-$232.30$58.65$232.30
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