AG000KU5

123594-04-7 | 4-Chloroisoindoline

AG000KU5

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CAS Number	123594-04-7
Catalog Number	AG000KU5(AGN-PC-002KUL)
Chemical Name	4-Chloroisoindoline
IUPAC Name	4-chloro-2,3-dihydro-1H-isoindole
InChI	InChI=1S/C8H8ClN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChI Key	XYHJVLXLZOTUKL-UHFFFAOYSA-N
MDL Number	MFCD08234860
Molecular Formula	C8H8ClN
Molecular Weight	153.6088
SMILES	ClC1=CC=CC2=C1CNC2
Synonyms	4-Chloroisoindoline, 123594-04-7, 4-CHLORO-2,3-DIHYDRO-1H-ISOINDOLE, 1H-ISOINDOLE, 4-CHLORO-2,3-DIHYDRO-, 1H-Isoindole,4-chloro-2,3-dihydro-, PubChem18082, ACMC-1C0U6, SCHEMBL3171440, CTK4B3557, DTXSID20564159, XYHJVLXLZOTUKL-UHFFFAOYSA-N, WT762, ANW-57231, ZINC33358769, 123594-04-7 4-chloroisoindoline, AKOS006344248, AC-7917, MB05816, 1H-Isoindole,4-chloro- 2,3-dihydro-, ST2405748, TC-145976, 4CH-018605, X5521, 594C047, J-515153, Z2092370341, C8H8ClN, 4-Chloroisoindoline hydrochloride, AN-8517, RL01074, AJ-85853, A15999,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.034527g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.61g/mol
Monoisotopic Mass	153.034527g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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