AG006A8F

959236-79-4 | 8-Iodoquinazoline-2,4(1H,3H)-dione

AG006A8F

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CAS Number	959236-79-4
Catalog Number	AG006A8F(AGN-PC-0NP8KY)
Chemical Name	8-Iodoquinazoline-2,4(1H,3H)-dione
IUPAC Name	8-iodo-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5IN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChI Key	IXRBNJRIAAWODM-UHFFFAOYSA-N
MDL Number	MFCD09954831
Molecular Formula	C8H5IN2O2
Molecular Weight	288.0420
SMILES	O=C(N1)NC2=C(C=CC=C2I)C1=O
Synonyms	8-Iodoquinazoline-2,4(1H,3H)-dione, 959236-79-4, 8-iodo-1H-quinazoline-2,4-dione, AK-79555, CTK8B5136, KS-00000POJ, DTXSID20652949, ANW-47711, MFCD09954831, ZINC26894338, AKOS015919753, 8-Iodo-2,4(1H,3H)-quinazolinedione, FCH1396614, AJ-82808, BR-79555, DS-17710, AX8225427, 4CH-011386, CS-0039073, ST24024579, W9783, I12079, S-6793, 8-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione, C8H5IN2O2,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	288.044g/mol
Monoisotopic Mass	287.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Lot Number