AG005VMC

75680-93-2 | Ethyl 6-chloro-[1,2,4]triazolo[4,3-a]pyridazine-3-carboxylate

AG005VMC

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CAS Number	75680-93-2
Catalog Number	AG005VMC(AGN-PC-0061SP)
Chemical Name	Ethyl 6-chloro-[1,2,4]triazolo[4,3-a]pyridazine-3-carboxylate
IUPAC Name	ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
InChI	InChI=1S/C8H7ClN4O2/c1-2-15-8(14)7-11-10-6-4-3-5(9)12-13(6)7/h3-4H,2H2,1H3
InChI Key	ZDUBOXQUQKOFHJ-UHFFFAOYSA-N
MDL Number	MFCD11868226
Molecular Formula	C8H7ClN4O2
Molecular Weight	226.6198
SMILES	O=C(C1=NN=C2C=CC(Cl)=NN21)OCC
Synonyms	75680-93-2, ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate, ethyl 6-chloro[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate, ETHYL 6-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDAZINE-3-CARBOXYLATE, 1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, ethyl ester, SCHEMBL1775497, CTK2G8764, DTXSID60461274, ZDUBOXQUQKOFHJ-UHFFFAOYSA-N, BBL032040, MFCD11868226, STK928183, ZINC32500170, AKOS004912451, MCULE-5915759903, PB38378, AK170347, AS-33778, 6-chloro-1,2,4-triazolo[4,3-b]pyridazine-3-carboxylic acid ethyl ester, C8H7ClN4O2, CID11287584, 76196-04-8, Ethyl 3-chloro-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxylate,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.026g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.62g/mol
Monoisotopic Mass	226.026g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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