AG000769

102308-43-0 | 1(3H)-Isobenzofuranone, 4-bromo-

AG000769

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CAS Number	102308-43-0
Catalog Number	AG000769(AGN-PC-00CA1J)
Chemical Name	1(3H)-Isobenzofuranone, 4-bromo-
IUPAC Name	4-bromo-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
InChI Key	MACJSJRQNWAGJM-UHFFFAOYSA-N
MDL Number	MFCD06412577
Molecular Formula	C8H5BrO2
Molecular Weight	213.0281
SMILES	O=C1OCc2c1cccc2Br
Synonyms	102308-43-0, 4-Bromo-2-benzofuran-1[3H]-one, 4-bromoisobenzofuran-1(3H)-one, 4-bromo-2-benzofuran-1(3H)-one, 4-bromo-3H-isobenzofuran-1-one, 1(3H)-Isobenzofuranone, 4-bromo-, AK-30225, 4-bromo-1,3-dihydro-2-benzofuran-1-one, 4-bromo-3H-2-benzofuran-1-one, SCHEMBL698199, ACMC-20a087, CTK4A0915, 4-Bromo-1(3H)-isobenzofuranone, DTXSID50469128, MACJSJRQNWAGJM-UHFFFAOYSA-N, 1(3H)-Isobenzofuranone,4-bromo-, ACT05320, ZX-AT020637, ANW-51221, MFCD06412577, RW3082, ZINC21994066, AKOS005137919, CS-W004185, FCH1378214, FS-2322, QC-2319, RP26711, AJ-79858, BR-30225, CJ-17169, EN002139, OR301006, SC-51365, SY110693, AB0004558, AX8094808, DB-006688, ST2411163, TX-010038, 4CH-015813, FT-0647979, FT-0701328, X8605, MFCD06412577 (95%), S-6157, J-514622, C8H5BrO2, 1-Phenyl-1H-imidazo[4,5-c]pyridine, ACN-046098, CID11593715,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.947g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.03g/mol
Monoisotopic Mass	211.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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