AG00ECY9

58083-59-3 | 6-chloroisoindolin-1-one

AG00ECY9

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CAS Number	58083-59-3
Catalog Number	AG00ECY9(AGN-PC-0NJ695)
Chemical Name	6-chloroisoindolin-1-one
IUPAC Name	6-chloro-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChI Key	VCEOKEOSVQLRNW-UHFFFAOYSA-N
MDL Number	MFCD08234734
Molecular Formula	C8H6ClNO
Molecular Weight	167.5923
SMILES	O=C1NCC2=C1C=C(Cl)C=C2
Synonyms	6-chloroisoindolin-1-one, 58083-59-3, 6-CHLORO-1-ISOINDOLINONE, 6-Chloro-2,3-dihydro-1H-isoindol-1-one, CHEMBL2381486, 6-CHLORO-2,3-DIHYDRO-ISOINDOL-1-ONE, PubChem16925, 4k5z, SCHEMBL1760377, CTK1G8817, DTXSID50500404, VCEOKEOSVQLRNW-UHFFFAOYSA-N, 8589AB, BDBM50434113, MFCD08234734, ZINC39237328, 6-chloro-2,3-dihydroisoindol-1-one, AKOS006285499, MB05675, RL04191, 6-chloranyl-2,3-dihydroisoindol-1-one, AJ-99291, AK112120, AS-42840, 6-chloro-2, 3-dihydro-1H-isoindol-1-one, 6-chloro-2,3-dihydro-1H-isoindole-1-one, AB0085116, AB1010377, DB-072415, TC-070673, CS-0082122, FT-0757871, Y-3750, A831728, 1H-ISOINDOL-1-ONE, 6-CHLORO-2,3-DIHYDRO-, J-518620, 6-Chloro-2,3-dihydro-1H-isoindol-1-one;6-Chloro-1-oxo-isoindoline;6-Chlor-phthalimidin, C8H6ClNO,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.592g/mol
Monoisotopic Mass	167.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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