AG005WJ8

959236-72-7 | 7-Iodoquinazoline-2,4(1H,3H)-dione

AG005WJ8

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CAS Number	959236-72-7
Catalog Number	AG005WJ8(AGN-PC-0NP8KX)
Chemical Name	7-Iodoquinazoline-2,4(1H,3H)-dione
IUPAC Name	7-iodo-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5IN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChI Key	USQDOSUQXJGECF-UHFFFAOYSA-N
MDL Number	MFCD09954830
Molecular Formula	C8H5IN2O2
Molecular Weight	288.0420
SMILES	IC1=CC=C2C(=O)NC(=O)NC2=C1
Synonyms	7-Iodoquinazoline-2,4(1H,3H)-dione, 959236-72-7, AK-78329, 2,4(1H,3H)-Quinazolinedione, 7-iodo-, SCHEMBL4174954, CTK8B9938, KS-00000PMN, DTXSID60652948, USQDOSUQXJGECF-UHFFFAOYSA-N, 7-iodo-1H-quinazoline-2,4-dione, 6584AC, ANW-63669, MFCD09954830, ZINC26894335, AKOS016003629, FCH1396613, AJ-82807, DS-17311, AX8224614, D121496, 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	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number