AG00HRME

1269652-47-2 | (2S)-2-Amino-2-(3-chloro-4-fluorophenyl)ethan-1-ol hcl

AG00HRME

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CAS Number	1269652-47-2
Catalog Number	AG00HRME(AGN-PC-0WNGD4)
Chemical Name	(2S)-2-Amino-2-(3-chloro-4-fluorophenyl)ethan-1-ol hcl
IUPAC Name	(2S)-2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride
InChI	InChI=1S/C8H9ClFNO.ClH/c9-6-3-5(8(11)4-12)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChI Key	HEMKHTRHHXHZEJ-DDWIOCJRSA-N
MDL Number	MFCD12910594
Molecular Formula	C8H10Cl2FNO
Molecular Weight	226.0755
SMILES	FC1=CC=C([C@H](N)CO)C=C1Cl.[H]Cl
Synonyms	(S)-2-amino-2-(3-chloro-4-fluorophenyl)ethanol hydrochloride, 1269652-47-2, (2S)-2-Amino-2-(3-chloro-4-fluorophenyl)ethan-1-ol HCl, C8H10Cl2FNO, SCHEMBL1439240, HEMKHTRHHXHZEJ-DDWIOCJRSA-N, KS-00000Q3E, MFCD12910594, DS-11958, (S)-2-amino-2-(3-chloro-4-fluoro-phenyl)ethanol hydrochloride, 496856-52-1,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	225.012g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	226.072g/mol
Monoisotopic Mass	225.012g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
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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