| CAS Number | 1393544-72-3 |
| Catalog Number | AG001ATL(AGN-PC-0WD2K1) |
| Chemical Name | 2-Pyrazinecarboxylic acid, 3-amino-5-chloro-, ethyl ester |
| IUPAC Name | ethyl 3-amino-5-chloropyrazine-2-carboxylate |
| InChI | InChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3,(H2,9,11) |
| InChI Key | VHCHPNCLERABHA-UHFFFAOYSA-N |
| MDL Number | MFCD22548221 |
| Molecular Formula | C7H8ClN3O2 |
| Molecular Weight | 201.6103 |
| SMILES | O=C(C1=NC=C(Cl)N=C1N)OCC |
| Synonyms | Ethyl 3-amino-5-chloropyrazine-2-carboxylate,
1393544-72-3,
DTXSID40856442,
6765AA,
ZINC95093432,
AB85378,
FCH2293726,
AJ-132522,
AX8256456,
2-Pyrazinecarboxylic acid, 3-amino-5-chloro-, ethyl ester,
C7H8ClN3O2,
Ethyl3-amino-5-chloropyrazine-2-carboxylate,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.61g/mol |
| Monoisotopic Mass | 201.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number