AG00I676

3261-05-0 | 3(2H)-Benzofuranone, 5-chloro-

AG00I676

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CAS Number	3261-05-0
Catalog Number	AG00I676(AGN-PC-0KYZR3)
Chemical Name	3(2H)-Benzofuranone, 5-chloro-
IUPAC Name	5-chloro-1-benzofuran-3-one
InChI	InChI=1S/C8H5ClO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
InChI Key	QQCUCXUMVSGDJH-UHFFFAOYSA-N
MDL Number	MFCD00091066
Molecular Formula	C8H5ClO2
Molecular Weight	168.5771
SMILES	O=C1COC2=CC=C(Cl)C=C12
Synonyms	5-chlorobenzofuran-3-one, 3261-05-0, 5-Chloro-benzofuran-3-one, 5-CHLOROBENZOFURAN-3(2H)-ONE, 5-Chloro-3-Benzofuranone, 3(2H)-BENZOFURANONE, 5-CHLORO-, 5-chloro-2,3-dihydro-1-benzofuran-3-one, 5-chloro-1-benzofuran-3-one, 3(2H)-Benzofuranone,5-chloro-, 5-bromo-2H-1-benzofuran-3-one, 5-Chlorobenzo[b]furan-3(2H)-one, 5-chloro-1-benzofuran-3(2H)-one, 5-BROMOBENZO[B]FURAN-3(2H)-ONE, PubChem18004, AC1MVP5M, AC1Q3KN8, SCHEMBL69423, AMOT0723, 5-chloro-benzofuran-3(2h)-one, CTK4G9012, DTXSID30395370, QQCUCXUMVSGDJH-UHFFFAOYSA-N, 5-chloro-benzofuran-3 (2h)-one, BH796, ACT08892, ZINC2172746, ANW-46147, BBL019831, FC0585, MFCD00091066, SBB068529, STL253543, 5-chloro-2-hydrobenzo[b]furan-3-one, AKOS000223981, 5-CHLORO-3(2H)-BENZOFURANONE, AB03274, AS06459, CM10770, MCULE-5035207051, RP23116, AJ-34089, AS-36110, BC004321, SC-20298, SY011536, 5-Chloro-2,3-dihydrobenzo[b]furan-3-one, AB0024218, DB-068666, ST2418742, TC-134892, 4CH-012940, A5835, FT-0649261, W5443, EN300-69042, MFCD00091066 (95%), K-7574, I14-7300, J-517390, Z1250100677, 5-Bromo-3-Benzofuranone, 5-Bromo-benzofuran-3-one, C8H5ClO2, cc-576, 3(2H)-BENZOFURANONE, 5-BROMO-, ACN-041108, CID3711352, 60770-49-2,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number