AG005FXL

700-85-6 | 5-Fluoroisobenzofuran-1(3H)-one

AG005FXL

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CAS Number	700-85-6
Catalog Number	AG005FXL(AGN-PC-00NWWJ)
Chemical Name	5-Fluoroisobenzofuran-1(3H)-one
IUPAC Name	5-fluoro-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5FO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
InChI Key	KKDJJBAMSYLYQS-UHFFFAOYSA-N
MDL Number	MFCD09842448
Molecular Formula	C8H5FO2
Molecular Weight	152.1225
SMILES	O=C1c2c(CO1)cc(cc2)F
Synonyms	5-Fluoroisobenzofuran-1(3H)-one, 700-85-6, 5-Fluoro-1(3h)-isobenzofuranone, 1(3H)-ISOBENZOFURANONE, 5-FLUORO-, CHEMBL226398, 5-fluoro-3H-isobenzofuran-1-one, AK-98406, 5-fluoro-1,3-dihydro-2-benzofuran-1-one, 5-fluorophthalide, 5-Fluoro-Phthalide, ACMC-209ocn, SCHEMBL365201, AMOT0821, CTK2G3147, DTXSID60548958, KKDJJBAMSYLYQS-UHFFFAOYSA-N, 5-Fluoro-2-benzofuran-1(3H)-one, 5-fluoranyl-3H-2-benzofuran-1-one, ANW-35829, BDBM50370989, FCH874734, KM1326, MFCD09842448, ZINC28647754, AKOS005215807, AN-2348, CF-1415, 5-Fluoro-1,3-dihydroisobenzofuran-1-one, AJ-83565, AM807120, CJ-17686, DS-18650, PC500768, AB0060663, AX8240207, TC-066227, 4CH-023674, FT-0655305, ST24044753, V7370, A836763, I14-5721, C8H5FO2, ACN-041119, 5-Fluoro-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	152.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.124g/mol
Monoisotopic Mass	152.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

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