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

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

CAS: 532987-19-2

Formula: C9H14ClNO2

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

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

InChI: InChI=1S/C9H13NO2.ClH/c1-12-8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m0./s1

Composition: C (53.08%), H (6.93%), Cl (17.41%), N (6.88%), O (15.71%)

Molar Mass: 203.67

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 203.0713064
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CHLMFPQGTHFLAT-FVGYRXGTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.96
Topological Polar Surface Area 55.48
Polarizability 18.67
Ring Count 1
Rotatable Bond Count 3

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