AG000R18

1260667-67-1 | 2-Pyrazinecarboxylic acid, 6-bromo-3,4-dihydro-3-oxo-

AG000R18

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CAS Number	1260667-67-1
Catalog Number	AG000R18(AGN-PC-0WAHNO)
Chemical Name	2-Pyrazinecarboxylic acid, 6-bromo-3,4-dihydro-3-oxo-
IUPAC Name	5-bromo-2-oxo-1H-pyrazine-3-carboxylic acid
InChI	InChI=1S/C5H3BrN2O3/c6-2-1-7-4(9)3(8-2)5(10)11/h1H,(H,7,9)(H,10,11)
InChI Key	VMCUQNUHUVHRIL-UHFFFAOYSA-N
MDL Number	MFCD18250199
Molecular Formula	C5H3BrN2O3
Molecular Weight	218.9929
SMILES	O=C(C1=NC(Br)=CN=C1O)O
Synonyms	6-Bromo-3-hydroxypyrazine-2-carboxylic acid, 1260667-67-1, CTK8B6326, DTXSID10743138, 4958AA, ANW-53285, MFCD18250199, ZINC81991099, AKOS015999681, AB72520, FCH1364654, KS-00000Q19, AK-93166, DS-17794, AJ-124053, AX8231149, TC-142030, CS-0042066, ST24024285, 6-Bromo-3-oxo-3,4-dihydropyrazine-2-carboxylic acid, C5H3BrN2O3,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.933g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.994g/mol
Monoisotopic Mass	217.933g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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