AG0000UX

1000878-48-7 | (S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride

AG0000UX

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CAS Number	1000878-48-7
Catalog Number	AG0000UX(AGN-PC-0WA2RD)
Chemical Name	(S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride
IUPAC Name	(1S)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride
InChI	InChI=1S/C8H9ClFN.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI Key	PUBRSCIMJQYMNY-JEDNCBNOSA-N
MDL Number	MFCD12757994
Molecular Formula	C8H10Cl2FN
Molecular Weight	210.0761
SMILES	C[C@H](N)C1=C(F)C=CC=C1Cl.[H]Cl
Synonyms	1000878-48-7, (S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride, (S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE HCl, AK134087, SCHEMBL20238704, KS-00000RJT, DTXSID30704246, MFCD06761973, MFCD12757994, AKOS015923250, DS-4744, AX8255638, (1S)-1-(2-chloro-6-fluorophenyl)ethanamine,hydrochloride, (S)-1-(2-chloro-6-fluorophenyl)ethan-1-amine hydrochloride, (1S)-1-(2-Chloro-6-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1), Benzenemethanamine, 2-chloro-6-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)-, PUBRSCIMJQYMNY-JEDNCBNOSA-N, ACN-055264, (S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE-HCl, (S)-1-(2-Chloro-6-fluorophenyl)ethanaminehydrochloride,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	209.017g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.073g/mol
Monoisotopic Mass	209.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^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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