AG003QLT

18861-78-4 | Fluorescein 6-Isothiocyanate (isomer II)

AG003QLT

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CAS Number	18861-78-4
Catalog Number	AG003QLT(AGN-PC-0QHSCM)
Chemical Name	Fluorescein 6-Isothiocyanate (isomer II)
IUPAC Name	3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C21H11NO5S/c23-12-2-5-15-18(8-12)26-19-9-13(24)3-6-16(19)21(15)17-7-11(22-10-28)1-4-14(17)20(25)27-21/h1-9,23-24H
InChI Key	GTQFZXYECNSNNC-UHFFFAOYSA-N
MDL Number	MFCD00041838
Molecular Formula	C21H11NO5S
Molecular Weight	389.3807
SMILES	OC=1C=CC=2C3(C4=CC=C(C=C4OC2C1)O)OC(C1=CC=C(C=C13)N=C=S)=O
UNII	360X6ZS9ZB
Synonyms	fluorescein 6-isothiocyanate, 18861-78-4, Fluorescein-6-isothiocyanate, FITC-II, 3',6'-dihydroxy-6-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, Fluorescein-4-isothiocyanate (FITC-II), Fluorescein 6-Isothiocyanate, Isomer 2, 95%, FITC Isomer II, FITC 'Isomer II', F6ITC, 6-Isothiocyanatofluorescein, AC1MC75M, SCHEMBL160107, Jsp003870, CHEBI:37928, CTK8I2453, 3678AH, MFCD00041838, ZINC14982810, AKOS015912141, ACM3326316, ACN-041266, ACM18861784, Fluorescein 6-Isothiocyanate (isomer II), F0783, FT-0626458, 012F713, J-012159, I14-35698, UNII-7BUU93N0HM component GTQFZXYECNSNNC-UHFFFAOYSA-N, 6-Isothiocyanatofluorescein / Fluorescein Isothiocyanate / 6-FITC, 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one, 3',6'-dihydroxy-6-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 3\',6\'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9\'-xanthene]-1-one, 6-FITC, FITC, Fluorescein isothiocyanate, FITC-I, UNII-360X6ZS9ZB, FITC (6-isothiocyanate), Fluorescein-4-Isothiocyanate, 360X6ZS9ZB, C21H11NO5S, FITC, 6-, fluorescein isothiocyanate isomer ii, CID2762652, 3326-31-6, 27072-45-3, 3012-71-3, 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-isothiocyanatobenzoic acid, 3',6'-dihydroxy-5-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one, 3',6'-Dihydroxy-6-isothiocyanatospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5(or 6)-isothiocyanato-,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.036g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	389.381g/mol
Monoisotopic Mass	389.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H317-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 2811

Certificate of Analysis

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