AG001U79

16353-27-8 | 6-Iodo-1h-quinazoline-2,4-dione

AG001U79

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CAS Number	16353-27-8
Catalog Number	AG001U79(AGN-PC-007YCW)
Chemical Name	6-Iodo-1h-quinazoline-2,4-dione
IUPAC Name	6-iodo-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5IN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChI Key	NBSMJLABFCDYFQ-UHFFFAOYSA-N
MDL Number	MFCD09029814
Molecular Formula	C8H5IN2O2
Molecular Weight	288.0420
SMILES	IC=1C=C2C(NC(NC2=CC1)=O)=O
Synonyms	6-iodo-1H-quinazoline-2,4-dione, 16353-27-8, 6-Iodoquinazoline-2,4(1H,3H)-dione, 6-Iodoquinazolinedione, 2,4(1H,3H)-Quinazolinedione,6-iodo-, 6-Iodoquinazoline-2,4-diol, 6-Iodoquinazolin-2,4-Dione, 6-iodo-quinazoline-2,4-diol, SCHEMBL3666779, SCHEMBL20680521, CTK4D1572, DTXSID70464155, NBSMJLABFCDYFQ-UHFFFAOYSA-N, MFCD09029814, VT1417, ZINC21987468, 6-iodoquinazolin-2,4(1H,3H)-dione, AKOS015962671, AC-17768, AJ-79524, 2,4(1H,3H)-Quinazolinedione, 6-iodo-, CS-0060656, CID11380668,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number