AG003GN4

120984-76-1 | 2-bromo-3-methylpyrazine

AG003GN4

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CAS Number	120984-76-1
Catalog Number	AG003GN4(AGN-PC-0NJ16W)
Chemical Name	2-bromo-3-methylpyrazine
IUPAC Name	2-bromo-3-methylpyrazine
InChI	InChI=1S/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChI Key	NDBBGCAETKIKIC-UHFFFAOYSA-N
MDL Number	MFCD08705769
Molecular Formula	C5H5BrN2
Molecular Weight	173.0106
SMILES	CC1=C(Br)N=CC=N1
Synonyms	2-Bromo-3-methylpyrazine, 120984-76-1, Pyrazine,2-bromo-3-methyl-, PYRAZINE, 2-BROMO-3-METHYL-, PubChem18035, ACMC-1C1JQ, 2-bromo-3-methyl-pyrazine, 2-bromanyl-3-methyl-pyrazine, SCHEMBL1434348, CTK4B2125, KS-00000HJW, DTXSID70499048, NDBBGCAETKIKIC-UHFFFAOYSA-N, ACT03674, ALBB-016244, ANW-69304, CB0077, MFCD08705769, QC-314, ZINC38339245, AKOS006290277, AC-5186, CB-3010, CS-W021604, PB10597, RP23522, AJ-95140, AK-31997, AN-11207, BC004331, CJ-19229, DS-11648, EN000864, SC-23043, SY023914, AB0054130, DB-061842, TC-060719, 4CH-008205, BB 0258511, FT-0684020, ST24027813, Z3979, MFCD08705769 (95%), Q-1580, 984B761, A804631, I14-8438, J-508234, C5H5BrN2, ACN-029292,

Complexity	76.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.964g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.013g/mol
Monoisotopic Mass	171.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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