AG00H6JM

959236-96-5 | 8-Fluoroquinazoline-2,4(1H,3H)-Dione

AG00H6JM

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CAS Number	959236-96-5
Catalog Number	AG00H6JM(AGN-PC-0MYFJP)
Chemical Name	8-Fluoroquinazoline-2,4(1H,3H)-Dione
IUPAC Name	8-fluoro-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChI Key	FWGXKHUKBVXXCD-UHFFFAOYSA-N
MDL Number	MFCD12756538
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	O=C(N1)NC2=C(C=CC=C2F)C1=O
Synonyms	8-Fluoroquinazoline-2,4(1H,3H)-dione, 959236-96-5, 8-fluoro-2,4(1H,3H)-Quinazolinedione, 8-Fluoroquinazoline-2,4-diol, 8-fluoro-1,2,3,4-tetrahydroquinazoline-2,4-dione, 8-fluoro-1H-quinazoline-2,4-dione, KSC496A0L, SCHEMBL527840, CTK3J6005, KS-00000POI, DTXSID10435248, ANW-47710, MFCD09954844, ZINC26894377, AKOS006312895, DS-1740, VZ31024, AJ-82819, AK-79521, BR-79521, SY013583, DB-080366, FT-0722437, W9784, J3.584.658A, S-6800, MFCD09954844 (95+%), 8-fluoro-2,4-dioxo-1,2,3,4-tetrahydroquinazoline, C8H5FN2O2, CID10080993, 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	0.9

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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