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(1R)-1-(4-fluoro-3-methoxyphenyl)ethanamine hydrochloride

(1R)-1-(4-fluoro-3-methoxyphenyl)ethanamine hydrochloride

CAS: 1157581-09-3

Formula: C9H13ClFNO

SMILES: Cl.COC1=C(F)C=CC(=C1)[C@@H](C)N

IUPAC: (1R)-1-(4-fluoro-3-methoxyphenyl)ethan-1-amine hydrochloride

InChI: InChI=1S/C9H12FNO.ClH/c1-6(11)7-3-4-8(10)9(5-7)12-2;/h3-6H,11H2,1-2H3;1H/t6-;/m1./s1

Composition: C (52.56%), H (6.37%), Cl (17.24%), F (9.24%), N (6.81%), O (7.78%)

Molar Mass: 205.66

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 205.0669699
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HBJULLIYARHDSU-FYZOBXCZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.63
Topological Polar Surface Area 35.25
Polarizability 17.71
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1157581-09-3 $45.82-$1,894.31$45.82$70.13$202.90$522.67$882.64$1,894.31
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