AG0080X7

1187830-57-4 | 6-Bromo-3,4-dihydro-2h-isothiochromen-4-amine hcl

AG0080X7

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CAS Number	1187830-57-4
Catalog Number	AG0080X7(AGN-PC-0WABTO)
Chemical Name	6-Bromo-3,4-dihydro-2h-isothiochromen-4-amine hcl
IUPAC Name	6-bromo-3,4-dihydro-1H-isothiochromen-4-amine;hydrochloride
InChI	InChI=1S/C9H10BrNS.ClH/c10-7-2-1-6-4-12-5-9(11)8(6)3-7;/h1-3,9H,4-5,11H2;1H
InChI Key	DGKABSFHNFBVNU-UHFFFAOYSA-N
MDL Number	MFCD09878672
Molecular Formula	C9H11BrClNS
Molecular Weight	280.6123
SMILES	NC1CSCC2=C1C=C(Br)C=C2.Cl
Synonyms	1187830-57-4, 6-Bromoisothiochroman-4-amine hydrochloride, 6-Bromo-3,4-dihydro-2H-isothiochromen-4-amine HCl, 6-bromo-3,4-dihydro-1H-isothiochromen-4-amine hydrochloride, 6-Bromo-3,4-dihydro-2H-isothiochromen-4-aminehydrochloride, 4h-amino-6-bromo-1,3-dihydroisothiochromen hcl, 6-BROMO-3,4-DIHYDRO-1H-ISOTHIOCHROMEN-4-AMINE HCL, 6-bromo-3,4-dihydro-1H-2-benzothiopyran-4-amine hydrochloride, CTK8B5365, DTXSID10659982, ANW-48519, MFCD09878672, SC2421, AKOS015843781, RP09391, RTC-068191, AS-54621, BR-77877, AB0035021, TC-068191, FT-0685729, ST24024316, X9286, S-7575, J-518357, W-204994, 6-Bromo-3,4-dihydro-1H-2-benzothiopyran-4-amine--hydrogen chloride (1/1), C9H11BrClNS, 6-Bromoisothiochroman-4-aminehydrochloride,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	280.608g/mol
Monoisotopic Mass	278.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	51.3A^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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