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2-[(2-chlorophenyl)methoxy]ethanamine hydrochloride

2-[(2-chlorophenyl)methoxy]ethanamine hydrochloride

CAS: 6594-67-8

Formula: C9H13Cl2NO

SMILES: Cl[H].NCCOCC1=CC=CC=C1Cl

IUPAC: 2-[(2-chlorophenyl)methoxy]ethan-1-amine hydrochloride

InChI: InChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-8(9)7-12-6-5-11;/h1-4H,5-7,11H2;1H

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 0
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 FRIRXRYZWDEJDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.38
Topological Polar Surface Area 35.25
Polarizability 19.93
Ring Count 1
Rotatable Bond Count 4

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96% <7 Days 6594-67-8 $44.88-$1,028.50$44.88$70.13$182.33$654.50$1,028.50
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