AG00C78M

3326-35-0 | 4-Nitrofluorescein

AG00C78M

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CAS Number	3326-35-0
Catalog Number	AG00C78M(AGN-PC-0R8TVS)
Chemical Name	4-Nitrofluorescein
IUPAC Name	3',6'-dihydroxy-7-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C20H11NO7/c22-10-4-6-12-16(8-10)27-17-9-11(23)5-7-13(17)20(12)14-2-1-3-15(21(25)26)18(14)19(24)28-20/h1-9,22-23H
InChI Key	XURQCNORMJHFOV-UHFFFAOYSA-N
MDL Number	MFCD00059693
Molecular Formula	C20H11NO7
Molecular Weight	377.3038
SMILES	O=C1OC2(C3=C(OC4=C2C=CC(O)=C4)C=C(O)C=C3)C5=C1C=C([N+]([O-])=O)C=C5
Synonyms	4-Nitrofluorescein, 3326-35-0, 3318-08-9, 4-nitro-fluorescein, SCHEMBL3706970, CTK8I2390, KS-00000FK7, MFCD00135108, ZINC65748115, AKOS022175048, ACM3326350, DS-3040, AK134599, AJ-115629, AX8001117, J-019117, 3',6'-dihydroxy-4-nitro-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one, 3',6'-dihydroxy-4-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, Nitrofluorescein, Isomer 1,

Complexity	637
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.054g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	377.308g/mol
Monoisotopic Mass	377.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	122A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310-P321-P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

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