AG007AKC

1114559-11-3 | (S)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride

AG007AKC

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CAS Number	1114559-11-3
Catalog Number	AG007AKC(AGN-PC-0NXNVB)
Chemical Name	(S)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride
IUPAC Name	(1S)-1-(4-chloro-3-fluorophenyl)ethanamine
InChI	InChI=1S/C8H9ClFN/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1
InChI Key	SRVZZCBLNXFARS-YFKPBYRVSA-N
MDL Number	MFCD07772560
Molecular Formula	C8H9ClFN
Molecular Weight	173.6152
SMILES	C[C@H](N)C1=CC(F)=C(Cl)C=C1
Synonyms	(S)-1-(4-Chloro-3-fluorophenyl)ethanamine, 1114559-11-3, SCHEMBL957890, FCH856450, MFCD07772560, ZINC44560041, AK109500, AJ-109803, AX8226330, DB-060090, FT-0653762, ST24035724, (1S)-1-(4-chloro-3-fluorophenyl)ethan-1-amine, (S)-1-(4-chloro-3-fluorophenyl)ethanamine HCl,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	173.041g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.615g/mol
Monoisotopic Mass	173.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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