AG005YD1

957230-68-1 | 3,6-Dibromopyrazine-2-carboxylic acid

AG005YD1

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CAS Number	957230-68-1
Catalog Number	AG005YD1(AGN-PC-09Q669)
Chemical Name	3,6-Dibromopyrazine-2-carboxylic acid
IUPAC Name	3,6-dibromopyrazine-2-carboxylic acid
InChI	InChI=1S/C5H2Br2N2O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H,10,11)
InChI Key	MJOLIBQBOIULPY-UHFFFAOYSA-N
MDL Number	MFCD13193674
Molecular Formula	C5H2Br2N2O2
Molecular Weight	281.8896
SMILES	BrC1=NC=C(N=C1C(=O)O)Br
Synonyms	3,6-Dibromopyrazine-2-carboxylic acid, 957230-68-1, 3,6-dibromo-2-Pyrazinecarboxylic acid, AK-31824, SCHEMBL275483, CTK5H8128, DTXSID50693365, MJOLIBQBOIULPY-UHFFFAOYSA-N, ANW-51549, MFCD13193674, ZINC66351296, AKOS015834150, 3,6-dibromo-pyrazin-2-carboxylic acid, EBD2044375, FCH1382027, QC-6860, AS-18910, BR-31824, DA-19154, SY021153, AB0030930, AJ-116569, AX8210467, ST2410325, TR-038570, 4CH-010207, CS-0051596, FT-0702571, X3207, KS-00000542, MFCD13193674 (95%), S-6687, I14-16010, C5H2Br2N2O2, 3,6-DIBROMO-PYRAZINE-2-CARBONITRILE,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.846g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.891g/mol
Monoisotopic Mass	279.848g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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