AG0038F3

825633-94-1 | 5-Iodopyridazin-3(2H)-one

AG0038F3

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CAS Number	825633-94-1
Catalog Number	AG0038F3(AGN-PC-013N97)
Chemical Name	5-Iodopyridazin-3(2H)-one
IUPAC Name	4-iodo-1H-pyridazin-6-one
InChI	InChI=1S/C4H3IN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)
InChI Key	UZWMMCWOUBWROK-UHFFFAOYSA-N
MDL Number	MFCD08693620
Molecular Formula	C4H3IN2O
Molecular Weight	221.9839
SMILES	Ic1cc(=O)[nH]nc1
Synonyms	5-Iodo-2,3-dihydropyridazin-3-one, 825633-94-1, 5-Iodopyridazin-3(2H)-one, 5-IODO-3(2H)-PYRIDAZINONE, 4-iodo-1H-pyridazin-6-one, 5-IODO-2H-PYRIDAZIN-3-ONE, 3(2H)-PYRIDAZINONE, 5-IODO-, AK-39251, SCHEMBL700125, 5-Iodopyridazine-3(2H)-one, SCHEMBL15885916, CTK3E6188, DTXSID50586263, UZWMMCWOUBWROK-UHFFFAOYSA-N, ACT10941, KS-00000I3T, ANW-46839, CI-007, MFCD08693620, ZINC39291580, AKOS000278383, CS-W019630, FCH1389560, GS-3815, PB18920, RP27352, AC-25204, AJ-99670, AN-27278, BC244710, BR-39251, SC-48946, AB0026877, AX8163830, DB-029167, 4CH-008946, FT-0687750, ST24029496, W8629, S-5667, 633I941, J-517634, I14-12903, C4H3IN2O, 5-Iodo-2,3-dihydropyridazin-3-one,, 5-Iodo-3(2H)-pyridazinone, 95+%, ACN-031727,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.929g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.985g/mol
Monoisotopic Mass	221.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number