Home Aminos Benzeneacetic acid, α-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1)

Benzeneacetic acid, α-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1)

CAS No.:
1998215-80-7
Catalog Number:
AG002CCU
Molecular Formula:
C8H9ClFNO3
Molecular Weight:
221.6134
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Product Description
Catalog Number:
AG002CCU
Chemical Name:
Benzeneacetic acid, α-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1)
CAS Number:
1998215-80-7
Molecular Formula:
C8H9ClFNO3
Molecular Weight:
221.6134
MDL Number:
MFCD30478929
IUPAC Name:
2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C8H8FNO3.ClH/c9-4-1-2-6(11)5(3-4)7(10)8(12)13;/h1-3,7,11H,10H2,(H,12,13);1H
InChI Key:
CJAKCJAIPIAOGL-UHFFFAOYSA-N
SMILES:
NC(c1cc(F)ccc1O)C(=O)O.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
221.612g/mol
Monoisotopic Mass:
221.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties