Home Other Building Blocks (2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE

(2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE

CAS No.:
2095692-22-9
Catalog Number:
AG01DTG2
Molecular Formula:
C9H13ClFNO2
Molecular Weight:
221.6564
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Product Description
Catalog Number:
AG01DTG2
Chemical Name:
(2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE
CAS Number:
2095692-22-9
Molecular Formula:
C9H13ClFNO2
Molecular Weight:
221.6564
MDL Number:
MFCD24422017
IUPAC Name:
(2S)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethanol;hydrochloride
InChI:
InChI=1S/C9H12FNO2.ClH/c1-13-8-3-6(9(11)5-12)2-7(10)4-8;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1
InChI Key:
PNBVSZPLTNLKTL-SBSPUUFOSA-N
SMILES:
OC[C@H](c1cc(OC)cc(c1)F)N.Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.656g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties