AG00379C

400727-69-7 | 5-Nitroisoindoline, HCl

AG00379C

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CAS Number	400727-69-7
Catalog Number	AG00379C(AGN-PC-072IE4)
Chemical Name	5-Nitroisoindoline, HCl
IUPAC Name	5-nitro-2,3-dihydro-1H-isoindole;hydrochloride
InChI	InChI=1S/C8H8N2O2.ClH/c11-10(12)8-2-1-6-4-9-5-7(6)3-8;/h1-3,9H,4-5H2;1H
InChI Key	ZUBXSPGLHKLBCF-UHFFFAOYSA-N
MDL Number	MFCD08234716
Molecular Formula	C8H9ClN2O2
Molecular Weight	200.6223
SMILES	Cl.[N+](=O)([O-])C=1C=C2CNCC2=CC1
Synonyms	5-nitroisoindoline hydrochloride, 400727-69-7, 5-Nitro-isoindoline HCl, 5-Nitro-2,3-dihydro-1H-isoindole hydrochloride, 1H-Isoindole, 2,3-dihydro-5-nitro-, monohydrochloride, 5-NitroisoindolineHydrochloride, PubChem18055, 5-Nitroisoindoline, HCl, SCHEMBL1786988, CTK8E6632, DTXSID60657852, 5308AB, MFCD08234716, AKOS016010090, AB43622, AC-4307, MCULE-8516964246, AN-12109, AS-38166, AB0076805, RT-010392, 4CH-024650, FT-0692796, ST24044929, TL80090011, EN300-92013, S-7911, 5-Nitro-2,3-dihydro-1H-isoindole; hydrochloride, F1993-0037, Z1266933938, 5-Nitro-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1), C8H9ClN2O2, ACN-045208, A11786,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.622g/mol
Monoisotopic Mass	200.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.8A^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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