AG000HC8

1159823-51-4 | 1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1)

AG000HC8

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CAS Number	1159823-51-4
Catalog Number	AG000HC8(AGN-PC-0WAKT1)
Chemical Name	1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1)
IUPAC Name	2,3-dihydro-1H-isoindole-5-carbonitrile;hydrochloride
InChI	InChI=1S/C9H8N2.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3,11H,5-6H2;1H
InChI Key	DIGADCVKPVECTM-UHFFFAOYSA-N
MDL Number	MFCD10700140
Molecular Formula	C9H9ClN2
Molecular Weight	180.6342
SMILES	Cl.C1NCC2=CC(=CC=C12)C#N
Synonyms	1159823-51-4, Isoindoline-5-carbonitrile hydrochloride, 2,3-dihydro-1h-isoindole-5-carbonitrile hydrochloride, KS-00000SDN, 5-Cyano-isoindoline hydrochloride, 1357AJ, MFCD10700140, AKOS024258852, DS-8379, AK155441, Z2509351070, 1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1), 5-Cyano-isoindoline HCl, C9H8N2.HCl,

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

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