AG004DTW

87486-34-8 | 3,5-Dibromo-1-methylpyrazin-2(1H)-one

AG004DTW

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CAS Number	87486-34-8
Catalog Number	AG004DTW(AGN-PC-00KP87)
Chemical Name	3,5-Dibromo-1-methylpyrazin-2(1H)-one
IUPAC Name	3,5-dibromo-1-methylpyrazin-2-one
InChI	InChI=1S/C5H4Br2N2O/c1-9-2-3(6)8-4(7)5(9)10/h2H,1H3
InChI Key	LNVJQIHAUHVGEV-UHFFFAOYSA-N
MDL Number	MFCD12022617
Molecular Formula	C5H4Br2N2O
Molecular Weight	267.9061
SMILES	BrC1=NC(=CN(C1=O)C)Br
Synonyms	3,5-Dibromo-1-methylpyrazin-2(1H)-one, 87486-34-8, 3,5-Dibromo-1-methyl-1H-pyrazin-2-one, 2(1H)-Pyrazinone, 3,5-dibromo-1-methyl-, 3,5-dibromo-1-methylpyrazin-2-one, AK-39778, 3,5-dibromo-1-methyl-1,2-dihydropyrazin-2-one, SCHEMBL171024, CTK5F8537, KS-00000IJT, DTXSID30516841, LNVJQIHAUHVGEV-UHFFFAOYSA-N, CS-B0088, ANW-51557, MFCD12022617, ZINC39384805, 3,5-dibromo-1-methyl-pyrazin-2-one, AKOS015834411, FCH1408984, GS-4406, 3,5-dibromo-1-methyl-2(1H)pyrazinone, BR-39778, CJ-19962, SC-91965, SY038083, 3,5-Dibromo-1-methylpyrazine-2(1H)-one, 3,5-dibromo-1-methyl pyrazin-2(1H)-one, AJ-100115, AX8170970, TR-038120, 4CH-009364, ST24028205, W8976, MFCD12022617 (95%), D90125, S-4191, C5H4Br2N2O, 14529-54-5,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.867g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.908g/mol
Monoisotopic Mass	265.869g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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