AG001DFI

1458-16-8 | 2-Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester

AG001DFI

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CAS Number	1458-16-8
Catalog Number	AG001DFI(AGN-PC-0NFO2P)
Chemical Name	2-Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester
IUPAC Name	methyl 3-amino-6-iodopyrazine-2-carboxylate
InChI	InChI=1S/C6H6IN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChI Key	FDLARAKNPMCCKJ-UHFFFAOYSA-N
MDL Number	MFCD09909640
Molecular Formula	C6H6IN3O2
Molecular Weight	279.0352
SMILES	NC1=NC=C(N=C1C(=O)OC)I
Synonyms	Methyl 3-amino-6-iodopyrazine-2-carboxylate, 1458-16-8, 3-AMINO-6-IODOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTER, 3-amino-6-iodo-pyrazine-2-carboxylic acid methyl ester, MFCD09909640, AK-23977, C6H6IN3O2, SCHEMBL3003587, CTK4C4710, KS-00000HFE, DTXSID10454772, FDLARAKNPMCCKJ-UHFFFAOYSA-N, ANW-50410, ZINC38227307, AKOS015854560, CM-1492, DS-0295, FCH1395533, PB10772, RP29801, AJ-94715, BR-23977, CJ-19173, AB0022342, AX8158451, DB-063629, ST1120859, TR-005752, 4CH-007999, CS-0018938, FT-0645823, Methyl 3-amino-6-iodo-2-pyrazinecarboxylate, W3184, S-6367, A808418, methyl 3-azanyl-6-iodanyl-pyrazine-2-carboxylate, I14-8554, J-511674, 3-amino-6-iodo-2-pyrazinecarboxylic acid methyl ester, 2-Pyrazinecarboxylicacid, 3-amino-6-iodo-, methyl ester, 2-Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester, CID11087124, Methyl 3-amino-6-iodo-pyrazine-2-carboxylate,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.95g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.037g/mol
Monoisotopic Mass	278.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

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