AG0000OL

100047-56-1 | 2(1H)-Pyrazinone, 5-bromo-3-methyl-

AG0000OL

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CAS Number	100047-56-1
Catalog Number	AG0000OL(AGN-PC-0WAN2E)
Chemical Name	2(1H)-Pyrazinone, 5-bromo-3-methyl-
IUPAC Name	5-bromo-3-methyl-1H-pyrazin-2-one
InChI	InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChI Key	RNHAEGVBHQSLFS-UHFFFAOYSA-N
MDL Number	MFCD22548397
Molecular Formula	C5H5BrN2O
Molecular Weight	189.0100
SMILES	BrC=1N=C(C(NC1)=O)C
Synonyms	5-Bromo-3-methylpyrazin-2-ol, 100047-56-1, 2(1H)-Pyrazinone, 5-bromo-3-methyl-, AK136185, 2(1H)-Pyrazinone, 5-bromo-3-methyl, SCHEMBL2553390, SCHEMBL16631954, KS-00000RLC, DTXSID10608399, RNHAEGVBHQSLFS-UHFFFAOYSA-N, 2-hydroxy-3-methyl-5-bromopyrazine, MFCD22548397, ZINC95774804, 5-Bromo-3-methylpyrazin-2(1H)-one, 5-BroMo-2-hydroxy-3-Methyl pyrazine, AKOS022171697, AKOS028114782, AB85718, CS-W007103, DS-5310, FCH3467008, SC-92632, SY108685, AJ-133866, AX8256625, ST24044476, MFCD22548397 (95%),

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.959g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.012g/mol
Monoisotopic Mass	187.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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

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