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(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)ethanol hydrochloride

(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)ethanol hydrochloride

CAS: 2504147-29-7

Formula: C9H13ClFNO2

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

IUPAC: (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)ethan-1-ol hydrochloride

InChI: InChI=1S/C9H12FNO2.ClH/c1-13-9-4-6(8(11)5-12)2-3-7(9)10;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m0./s1

Composition: C (48.77%), H (5.91%), Cl (15.99%), F (8.57%), N (6.32%), O (14.44%)

Molar Mass: 221.66

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.0618845
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZJHXCOXQHPCSDF-QRPNPIFTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.17
Topological Polar Surface Area 55.48
Polarizability 18.36
Ring Count 1
Rotatable Bond Count 3

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