AG000HBL

1159825-57-6 | 4-Cyano-isoindoline, HCl

AG000HBL

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CAS Number	1159825-57-6
Catalog Number	AG000HBL(AGN-PC-08Y01D)
Chemical Name	4-Cyano-isoindoline, HCl
IUPAC Name	2,3-dihydro-1H-isoindole-4-carbonitrile;hydrochloride
InChI	InChI=1S/C9H8N2.ClH/c10-4-7-2-1-3-8-5-11-6-9(7)8;/h1-3,11H,5-6H2;1H
InChI Key	XVJQMFRHWPSTDY-UHFFFAOYSA-N
MDL Number	MFCD10700139
Molecular Formula	C9H9ClN2
Molecular Weight	180.6342
SMILES	N#CC1=CC=CC2=C1CNC2.[H]Cl
Synonyms	Isoindoline-4-carbonitrile hydrochloride, 1159825-57-6, 4-Cyano-isoindoline HCl, 2,3-dihydro-1h-isoindole-4-carbonitrile hydrochloride, 4-Cyano-isoindoline, HCl, 4-Cyano-isoindoline hydrochloride, DTXSID50679467, XVJQMFRHWPSTDY-UHFFFAOYSA-N, 4-cyanoisoindoline hydrogen chloride, 2597AA, MFCD10700139, AKOS016009105, AS-37208, AB0075648, 4-Cyano-isoindoline hydrochloride, AldrichCPR, X-2084, Z2509351122, 1H-Isoindole-4-carbonitrile, 2,3-dihydro-, hydrochloride (1:1), 2,3-Dihydro-1H-isoindole-4-carbonitrile--hydrogen chloride (1/1), C9H9ClN2, Isoindoline-4-carbonitrilehydrochloride,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.635g/mol
Monoisotopic Mass	180.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.8A^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

Lot Number