AG008Z1O

1209289-08-6 | 5-bromo-3-ethynylpyrazin-2-amine

AG008Z1O

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CAS Number	1209289-08-6
Catalog Number	AG008Z1O(AGN-PC-07HAUJ)
Chemical Name	5-bromo-3-ethynylpyrazin-2-amine
IUPAC Name	5-bromo-3-ethynylpyrazin-2-amine
InChI	InChI=1S/C6H4BrN3/c1-2-4-6(8)9-3-5(7)10-4/h1,3H,(H2,8,9)
InChI Key	ZSNRFVADJWPLOF-UHFFFAOYSA-N
MDL Number	MFCD09999142
Molecular Formula	C6H4BrN3
Molecular Weight	198.0201
SMILES	NC1=NC=C(N=C1C#C)Br
Synonyms	1209289-08-6, 2-Amino-5-bromo-3-ethynylpyrazine, 5-bromo-3-ethynylpyrazin-2-amine, AK-24394, SCHEMBL14853080, CTK4B2098, DTXSID70671903, ZSNRFVADJWPLOF-UHFFFAOYSA-N, 5-Bromo-3-ethynyl-2-pyrazinamine, KS-00002X0T, ANW-51873, FCH880142, MFCD09999142, ZINC40448293, 5-bromo-3-ethynyl-pyrazin-2-ylamine, AKOS006304265, FS-2760, QC-6864, RL00871, WT82738, BBV-38316938, BC004749, BR-24394, AJ-102610, AX8158118, DB-061833, TR-034476, 4CH-007916, FT-0660520, ST24027735, X9456, S-6182, J-517021, C6H4BrN3,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.023g/mol
Monoisotopic Mass	196.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number