AG004LQL

876161-05-6 | 5-bromopyrazine-2-carboxylic acid

AG004LQL

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CAS Number	876161-05-6
Catalog Number	AG004LQL(AGN-PC-022DXW)
Chemical Name	5-bromopyrazine-2-carboxylic acid
IUPAC Name	5-bromopyrazine-2-carboxylic acid
InChI	InChI=1S/C5H3BrN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChI Key	NPJHCKULJAIWGV-UHFFFAOYSA-N
MDL Number	MFCD09909672
Molecular Formula	C5H3BrN2O2
Molecular Weight	202.9935
SMILES	BrC1=CN=C(C=N1)C(=O)O
Synonyms	876161-05-6, 5-bromopyrazine-2-carboxylic acid, 5-BROMO-2-PYRAZINECARBOXYLIC ACID, 2-Pyrazinecarboxylicacid, 5-bromo-, 2-Pyrazinecarboxylic acid, 5-bromo-, MFCD09909672, AK-24192, KSC446E0J, AMPZ0019, SCHEMBL1656658, 5-Bromo-pyrazine-carboxylic acid, CTK3E6204, DTXSID80596178, NPJHCKULJAIWGV-UHFFFAOYSA-N, 2-Pyrazinecarboxylicacid,5-bromo-, BCP04439, ANW-50931, QC-507, RB3133, ZINC38540811, AKOS015834996, AB54768, AM62735, CS-W018782, FCH1395542, MCULE-6640664942, RP25973, AJ-96519, BR-24192, DS-10471, EN001215, SC-51305, SY018532, AB0027188, AX8159135, DB-077029, TR-027548, 4CH-006258, FT-0646637, ST24032942, W8994, MFCD09909672 (95%), S-6760, J-516996, C5H3BrN2O2, 5-BROMO-2-PYRAZINECARBOXYLICACID,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.938g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.995g/mol
Monoisotopic Mass	201.938g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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