AG00356Q

51171-02-9 | Methyl 3-bromopyrazine-2-carboxylate

AG00356Q

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CAS Number	51171-02-9
Catalog Number	AG00356Q(AGN-PC-00M19Z)
Chemical Name	Methyl 3-bromopyrazine-2-carboxylate
IUPAC Name	methyl 3-bromopyrazine-2-carboxylate
InChI	InChI=1S/C6H5BrN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
InChI Key	CMITUAXQMWSHLL-UHFFFAOYSA-N
MDL Number	MFCD08753935
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC=1C(=NC=CN1)C(=O)OC
Synonyms	Methyl 3-Bromopyrazine-2-carboxylate, 51171-02-9, Methyl 3-Bromo-2-pyrazinecarboxylate, 3-Bromo-pyrazine-2-carboxylic acid Methyl ester, Pyrazinecarboxylic acid, 3-bromo-, methyl ester, 3-BROMOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTER, KSC268I3B, SCHEMBL1198547, methyl 3-bromopyrazinecarboxylate, CTK1G8430, DTXSID80536650, CMITUAXQMWSHLL-UHFFFAOYSA-N, BCP03415, CS-D1608, methyl 3-brompyrazine-2-carboxylate, ANW-50407, CM0111, methyl 2-bromo-3pyrazine carboxylate, MFCD08753935, ZINC39286924, AKOS002666585, methyl 2-bromo-3-pyrazine carboxylate, AM87020, AN-4411, BCP9000913, PB16076, QC-6945, RP27032, TRA0052955, AJ-99653, AK-30735, BR-30735, CJ-19912, SC-34968, SY021286, TS-03095, AB0030931, ST2413345, TR-018242, 4CH-008204, FT-0768608, METHYL 2-BROMOPYRAZINE-3-CARBOXYLATE, X3208, MFCD08753935 (95%), 3-bromo-pyrazin-2-carboxylic acid methyl ester, S-5253, 2-Pyrazinecarboxylic acid, 3-bromo-, methyl ester, J-522162, 3-BROMO-2-PYRAZINECARBOXYLIC ACID METHYL ESTER, C6H5BrN2O2, ACN-038073,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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