AG00DAJ5

53910-10-4 | 6-IODO-3 H-ISOBENZOFURAN-1-ONE

AG00DAJ5

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CAS Number	53910-10-4
Catalog Number	AG00DAJ5(AGN-PC-0LX9EB)
Chemical Name	6-IODO-3 H-ISOBENZOFURAN-1-ONE
IUPAC Name	6-iodo-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChI Key	GDWUNKJJSAKJSC-UHFFFAOYSA-N
MDL Number	MFCD06739592
Molecular Formula	C8H5IO2
Molecular Weight	260.0286
SMILES	IC1=CC=C2COC(=O)C2=C1
Synonyms	53910-10-4, 6-IODO-3H-ISOBENZOFURAN-1-ONE, 6-iodoisobenzofuran-1(3h)-one, 6-Iodophthalide, 6-IODO-1(3H)-ISOBENZOFURANONE, 6-iodo-3 h-isobenzofuran-1-one, 6-IODO-1,3-DIHYDRO-2-BENZOFURAN-1-ONE, 1(3H)-Isobenzofuranone, 6-iodo-, AC1OGS0C, SCHEMBL6216899, 6-iodo-3H-2-benzofuran-1-one, CTK1F9975, DTXSID30428314, 6-Iodoisobenzofuran-1(3H);-one, GDWUNKJJSAKJSC-UHFFFAOYSA-N, 6-iodanyl-3H-2-benzofuran-1-one, KS-000002TN, ZINC4294168, 6-Iodo-3H-isobenzo[b]furan-1-one, 7705AB, ANW-59820, MFCD06739592, AKOS015853880, PB34159, RP29263, AJ-50412, AK-35552, DS-12690, DB-071758, TC-066252, FT-0657264, TL80090921, Q-1452, A829821, I14-5211, J-518807, C8H5IO2, ZINC04294168, CID7174166, 6-Iodo-1(3H)-isobenzofuranone, 95+%,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.933g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.03g/mol
Monoisotopic Mass	259.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
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

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