Home Aminos Benzeneacetic acid, α-amino-4-fluoro-3-methoxy-, hydrochloride (1:1), (αS)-

Benzeneacetic acid, α-amino-4-fluoro-3-methoxy-, hydrochloride (1:1), (αS)-

CAS No.:
1810074-58-8
Catalog Number:
AG0022KU
Molecular Formula:
C9H11ClFNO3
Molecular Weight:
235.6399
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Product Description
Catalog Number:
AG0022KU
Chemical Name:
Benzeneacetic acid, α-amino-4-fluoro-3-methoxy-, hydrochloride (1:1), (αS)-
CAS Number:
1810074-58-8
Molecular Formula:
C9H11ClFNO3
Molecular Weight:
235.6399
MDL Number:
MFCD28977503
IUPAC Name:
(2S)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C9H10FNO3.ClH/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13;/h2-4,8H,11H2,1H3,(H,12,13);1H/t8-;/m0./s1
InChI Key:
BMJIRSBYZJOWGS-QRPNPIFTSA-N
SMILES:
COc1cc(ccc1F)[C@@H](C(=O)O)N.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
235.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.639g/mol
Monoisotopic Mass:
235.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties