AG003NEU

70097-45-9 | 7-Chloroisobenzofuran-1(3H)-one

AG003NEU

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CAS Number	70097-45-9
Catalog Number	AG003NEU(AGN-PC-0JPH1X)
Chemical Name	7-Chloroisobenzofuran-1(3H)-one
IUPAC Name	7-chloro-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5ClO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
InChI Key	LLKCTHJTJUDDMG-UHFFFAOYSA-N
MDL Number	MFCD09909635
Molecular Formula	C8H5ClO2
Molecular Weight	168.5771
NSC Number	171642
SMILES	O=C1OCC2=C1C(Cl)=CC=C2
Synonyms	7-CHLOROPHTHALIDE, 70097-45-9, 7-Chloroisobenzofuran-1(3H)-one, 7-CHLORO-3H-ISOBENZOFURAN-1-ONE, 1(3H)-Isobenzofuranone, 7-chloro-, NSC171642, PubChem19473, ACMC-1BCIO, AC1L6U7X, SCHEMBL854978, AMOT0822, CTK5D1834, DTXSID00305769, 7-Chloro-1(3H)-isobenzofuranone, LLKCTHJTJUDDMG-UHFFFAOYSA-N, 7-chloro-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,7-chloro-, KS-00000C9A, ZINC1692785, 6485AJ, 7-chloranyl-3H-2-benzofuran-1-one, ANW-35833, FCH876548, MFCD09909635, AKOS006312126, CC-2329, NSC-171642, RP23117, TRA0083019, AJ-30159, AN-37836, CJ-06523, SC-26870, SY001015, 7-chloro-1,3-dihydro-2-benzofuran-1-one, AB1001133, AX8034678, TC-066238, FT-0649939, Z-4040, MFCD09909635 (97+%), 097C459, A836774, I14-5134, J-519220, null, (R)-2-Hexylamine, C8H5ClO2, CID299174, ACN-041127,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.998g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.576g/mol
Monoisotopic Mass	167.998g/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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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