AG00ICON

76-54-0 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',7'-dichloro-3',6'-dihydroxy-

AG00ICON

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CAS Number	76-54-0
Catalog Number	AG00ICON(AGN-PC-0U9XQU)
Chemical Name	Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',7'-dichloro-3',6'-dihydroxy-
EC Number	200-968-6
IUPAC Name	2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChI Key	VFNKZQNIXUFLBC-UHFFFAOYSA-N
MDL Number	MFCD00005047
Molecular Formula	C20H10Cl2O5
Molecular Weight	401.1964
SMILES	ClC1=CC=2C3(C4=CC(=C(C=C4OC2C=C1O)O)Cl)OC(C1=CC=CC=C13)=O
UNII	56NQM5UZT1
Synonyms	2',7'-dichlorofluorescein, 2',7'-dichlorofluorescein, disodium salt, 2',7'-dichlorofluorescin, dichlorofluorescin, monohlorofluorescein, 2',7'-Dichlorofluorescein, 76-54-0, Dichlorofluorescein, 2,7-Dichlorofluorescein, UNII-56NQM5UZT1, MFCD00005047, 56NQM5UZT1, CHEBI:51596, VFNKZQNIXUFLBC-UHFFFAOYSA-N, 2',7'-Dichloro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',7'-dichloro-3',6'-dihydroxy-, 2',7'-Dichlorofluorescein, ACS reagent, 2',7'-Dichlorofluorescein, pure, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',7'-dichloro-3',6'-dihydroxy-, C20H10Cl2O5, 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one, 11,16-dichloro-12,15-dihydroxyspiro[3-hydroisobenzofuran-3,9'-xanthene]-1-one, EINECS 200-968-6, Dichloro(R)fluorescein, AC1Q3T4U, SCHEMBL157703, AC1L229N, AC1Q797X, CHEMBL1908059, DTXSID8058798, KS-00000WR9, ZINC4261850, 4941AH, SBB008847, AKOS015902620, MCULE-3756364265, AS-10301, CC-08235, AB1008327, D0371, FT-0757261, ST50308351, M05763, 2',7'-DICHLOROFLUORESCEIN, REAGENT (ACS), C-34110, 2',7'-Dichlorofluorescein, ~90% (TLC), crystalline, I14-19681, 2',7'-dichloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 2',7'-Dichlorofluorescein, suitable for fluorescence, BioReagent, >=90% (T), Spiro[isobenzofuran-1(3H),9'-[9h]xanthen]-3-one,2',7'-dichloro-3',6'-dihydroxy-, null, dichlorofluorescin, Fluorescein 27, monohlorofluorescein, 2',7'-dichlorofluorescin, 6-IAF, 2/',7/'-Dichlorofluorescein, 2',7'-Dichlorofluorescein 5g, C20-H10-Cl2-O5, CID64944, ZINC04261850, 2',7'-Dichlorofluorescein - 1G 1g, 2,7-Dichloro Fluoroscein AR /ACS 5gm, 2',7'-dichlorofluorescein, disodium salt, C037631, 2-(2,7-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, 2-(2,7-dichlor-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesyre, Espiro[isobenzofuran-1(3h),9'-[9h]xanten]-3-ona, 2',7'-dicloro-3',6'-dihidroxi-, N-(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)-2-iodoacetamide, dCF, Dichlorofluorescein; 2,7-Dichlorofluorescein; 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one,

Complexity	585
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	399.991g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	401.195g/mol
Monoisotopic Mass	399.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code	\N

Certificate of Analysis

Lot Number