AG00348G

64169-34-2 | 5-Bromoisobenzofuran-1(3H)-one

AG00348G

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CAS Number	64169-34-2
Catalog Number	AG00348G(AGN-PC-0D5RUA)
Chemical Name	5-Bromoisobenzofuran-1(3H)-one
IUPAC Name	5-bromo-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
InChI Key	IUSPXLCLQIZFHL-UHFFFAOYSA-N
MDL Number	MFCD01797360
Molecular Formula	C8H5BrO2
Molecular Weight	213.0281
SMILES	BrC=1C=C2COC(C2=CC1)=O
Synonyms	5-Bromophthalide, 64169-34-2, 5-bromoisobenzofuran-1(3H)-one, 5-Bromo-1(3H)-isobenzofuranone, 5-bromo-3H-isobenzofuran-1-one, MFCD01797360, 5-bromo-1,3-dihydro-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 5-bromo-, 5-Bromo-3H-isobenzofuranone, 5-bromo-3H-2-benzofuran-1-one, IUSPXLCLQIZFHL-UHFFFAOYSA-N, 5-Bromo-2-benzofuran-1(3H)-one, 5-bromo-3-hydroisobenzofuran-1-one, AK-35968, 5-bromo-1,3-dihydro-isobenzofuran-1-one, 5-Bromophthalide, 98%, 5-bromphthalide, AC1LCMZR, PubChem20699, 5-Bromophthalide, 97%, ACMC-1B4ZN, SCHEMBL87174, KSC492I4R, CTK3J2448, IUSPXLCLQIZFHL-UHFFFAOYSA-, DTXSID60345267, ZINC347461, BCP15704, ZX-AT015678, 5-bromanyl-3H-2-benzofuran-1-one, AN-018, ANW-34814, KM0822, SBB063188, Isobenzofuran-1(3H)-one, 5-bromo-, 5-Bromo-2-benzofuran-1(3H)-one #, AKOS005067747, ACN-049341, AS07099, CS-W007667, FCH1326465, FR-2411, FS-2012, HCH0024055, LS40024, MCULE-1592698421, OR61443, RP26713, RTR-022008, VZ30154, KS-0000080Y, AC-15824, AC-29978, AJ-20060, BC004588, BP-20388, CC-21406, CJ-03027, FS000055, SC-13515, SY020509, ZB011037, AB0011173, AX8010872, DB-014558, TR-022008, AM20050066, B2770, FT-0620172, ST24029421, 169B342, A834660, AE-641/30105044, C-11192, I01-0757, J-517193, InChI=1/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2, C8H5BrO2, CID603144, ZINC00347461,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number