AG000YOX

128942-39-2 | 4H-1-Benzopyran-2-carboxylic acid, 7-fluoro-4-oxo-

AG000YOX

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CAS Number	128942-39-2
Catalog Number	AG000YOX(AGN-PC-001TXW)
Chemical Name	4H-1-Benzopyran-2-carboxylic acid, 7-fluoro-4-oxo-
IUPAC Name	7-fluoro-4-oxochromene-2-carboxylic acid
InChI	InChI=1S/C10H5FO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14)
InChI Key	NOSMZQCJSBUIMM-UHFFFAOYSA-N
MDL Number	MFCD11877866
Molecular Formula	C10H5FO4
Molecular Weight	208.1427
SMILES	O=C(C1=CC(C2=C(O1)C=C(F)C=C2)=O)O
Synonyms	7-Fluoro-4-oxo-4H-chromene-2-carboxylic acid, 128942-39-2, 7-Fluorochromone-2-carboxylic acid, SCHEMBL5564116, DTXSID00561727, KS-00000I4X, MFCD11877866, ZINC34319925, AKOS016846026, MB10449, AJ-87956, AK-32155, DS-11924, EN002653, 7-FLUORO-4-OXOCHROMENE-2-CARBOXYLIC ACID, 7-Fluoro-4-oxo-1(4H)-benzopyran-2-carboxylic acid, 7-fluoro-4-oxo-4h-1-benzopyran-2-carboxylic acid, 4H-1-Benzopyran-2-carboxylic acid, 7-fluoro-4-oxo-, Z2050688051,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.144g/mol
Monoisotopic Mass	208.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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