AG003MRT

192570-33-5 | 5-Fluoroquinazoline-2,4(1H,3H)-dione

AG003MRT

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CAS Number	192570-33-5
Catalog Number	AG003MRT(AGN-PC-0JU8IN)
Chemical Name	5-Fluoroquinazoline-2,4(1H,3H)-dione
IUPAC Name	5-fluoro-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)
InChI Key	WPPSJUCAPOKSHS-UHFFFAOYSA-N
MDL Number	MFCD09954841
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	FC1=C2C(=O)NC(=O)NC2=CC=C1
Synonyms	5-fluoroquinazoline-2,4(1H,3H)-dione, 192570-33-5, 5-Fluoroquinazoline-2,4-diol, 2,4(1H,3H)-quinazolinedione, 5-fluoro-, 5-fluoro-1H-quinazoline-2,4-dione, AC1LD70W, 5-fluoroquinazoline-2,4-dione, SCHEMBL3106487, CTK0A1768, DTXSID70349150, 5-Fluoro-2,4-dihydroxyquinazoline, KS-00000E0Z, 9996AA, ANW-68484, MFCD09954841, ZINC26894367, AKOS006312892, AM90254, MCULE-8731008775, 5-Fluoro-2,4(1H,3H)-quinazolinedione, AJ-82816, AS-32399, CJ-17551, QC-10857, SY011009, DB-065789, CS-0045378, FT-0697911, Z-4101, MFCD09954841 (95+%), 5-fluoro-1,2,3,4-tetrahydroquinazoline-2,4-dione, InChI=1/C8H5FN2O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13, C8H5FN2O2, CID643346, N/A,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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