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(1S)-1-(2-chloro-4-methoxyphenyl)ethanamine hydrochloride

(1S)-1-(2-chloro-4-methoxyphenyl)ethanamine hydrochloride

CAS: 2241594-14-7

Formula: C9H13Cl2NO

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

IUPAC: (1S)-1-(2-chloro-4-methoxyphenyl)ethan-1-amine hydrochloride

InChI: InChI=1S/C9H12ClNO.ClH/c1-6(11)8-4-3-7(12-2)5-9(8)10;/h3-6H,11H2,1-2H3;1H/t6-;/m0./s1

Composition: C (48.67%), H (5.90%), Cl (31.92%), N (6.31%), O (7.20%)

Molar Mass: 222.11

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.0374194
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FTRKJXLADINCNY-RGMNGODLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.22
Topological Polar Surface Area 35.25
Polarizability 19.92
Ring Count 1
Rotatable Bond Count 2

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