AG002C3X

1994-13-4 | 2H-​1-​Benzopyran-​2-​one, 6-​fluoro-​4-​hydroxy-

AG002C3X

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CAS Number	1994-13-4
Catalog Number	AG002C3X(AGN-PC-0AAPRT)
Chemical Name	2H-​1-​Benzopyran-​2-​one, 6-​fluoro-​4-​hydroxy-
IUPAC Name	6-fluoro-4-hydroxychromen-2-one
InChI	InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChI Key	JCOYNGQUPPGRNB-UHFFFAOYSA-N
MDL Number	MFCD03094006
Molecular Formula	C9H5FO3
Molecular Weight	180.1326
SMILES	FC=1C=C2C(=CC(OC2=CC1)=O)O
Synonyms	6-Fluoro-4-hydroxycoumarin, 1994-13-4, 6-fluoro-4-hydroxy-2H-chromen-2-one, 6-fluoro-4-hydroxychromen-2-one, 2H-1-Benzopyran-2-one, 6-fluoro-4-hydroxy-, 6-fluoro-2-hydroxy-4h-chromen-4-one, JCOYNGQUPPGRNB-UHFFFAOYSA-N, 6-Fluoro-4-hydroxy-chromen-2-one, 2H-1-Benzopyran-2-one,6-fluoro-4-hydroxy-, AC1LEN4O, AC1Q4OEE, 4-Hydroxy-6-fluorocoumarin, SCHEMBL2492142, CTK4E2787, CTK8D9458, ZINC58022, 6-fluoro-2-hydroxychromen-4-one, 6-Fluoro-4-hydroxycoumarin, 98%, 5991AH, MFCD03094006, SBB089628, AKOS002666461, AKOS030558428, KS-000017T1, AK396212, NS-01558, F0906, ST50308864, J-012877, I14-51276, F2100-0057, Z2350904444, C9H5FO3, AR-1H1687, CID688942, ZINC00058022, 20025-74-5,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.134g/mol
Monoisotopic Mass	180.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Certificate of Analysis

Lot Number