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1256944-96-3

1256944-96-3 | Benzenemethanamine, 4-fluoro-3-methoxy-α-methyl-, hydrochloride (1:1), (αR)-

CAS No: 1256944-96-3 Catalog No: AG000OH9 MDL No:MFCD16294081

Product Description

Catalog Number:
AG000OH9
Chemical Name:
Benzenemethanamine, 4-fluoro-3-methoxy-α-methyl-, hydrochloride (1:1), (αR)-
CAS Number:
1256944-96-3
Molecular Formula:
C9H13ClFNO
Molecular Weight:
205.6570
MDL Number:
MFCD16294081
IUPAC Name:
(1R)-1-(4-fluoro-3-methoxyphenyl)ethanamine;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
InChI Key:
HBJULLIYARHDSU-FYZOBXCZSA-N
SMILES:
COc1cc(ccc1F)[C@H](N)C.Cl

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.657g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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