AG01FUGL

1823888-27-2 | Methyl 5-bromo-6-methylpyrazine-2-carboxylate

AG01FUGL

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CAS Number	1823888-27-2
Catalog Number	AG01FUGL(AGN-PC-3H60FE)
Chemical Name	Methyl 5-bromo-6-methylpyrazine-2-carboxylate
IUPAC Name	methyl 5-bromo-6-methylpyrazine-2-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-4-6(8)9-3-5(10-4)7(11)12-2/h3H,1-2H3
InChI Key	JQSCMRUAOPYORA-UHFFFAOYSA-N
MDL Number	MFCD27952515
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	BrC=1N=CC(=NC1C)C(=O)OC
Synonyms	methyl 5-bromo-6-methylpyrazine-2-carboxylate, 1823888-27-2, SCHEMBL13358825, ACN-025467,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.96909g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.05g/mol
Monoisotopic Mass	229.96909g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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