AG002CCU

1998215-80-7 | Benzeneacetic acid, α-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1)

AG002CCU

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CAS Number	1998215-80-7
Catalog Number	AG002CCU(AGN-PC-0WQUC0)
Chemical Name	Benzeneacetic acid, α-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1)
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
MDL Number	MFCD30478929
Molecular Formula	C8H9ClFNO3
Molecular Weight	221.6134
SMILES	Cl.NC(C(=O)O)C1=C(C=CC(=C1)F)O
Synonyms	2-Amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid hydrochloride, 1998215-80-7, (R)-2-Amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid hydrochloride, 2089388-98-5, KS-00000TQ0, MFCD30478929, AK544259, AK684518, 2-Amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid HCl, (S)-2-AMINO-2-(5-FLUORO-2-HYDROXYPHENYL)ACETIC ACID HCL, Benzeneacetic acid, alpha-amino-5-fluoro-2-hydroxy-, hydrochloride (1:1),

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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