| CAS Number | 948833-63-4 |
| Catalog Number | AG01DWWG |
| Chemical Name | Methyl 3-chloroquinoxaline-6-carboxylate |
| IUPAC Name | methyl 3-chloroquinoxaline-6-carboxylate |
| InChI | InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(11)5-12-7/h2-5H,1H3 |
| InChI Key | HETNLVFOMLHRHI-UHFFFAOYSA-N |
| MDL Number | MFCD27934400 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | ClC=1C=NC2=CC=C(C=C2N1)C(=O)OC |
| Synonyms | Methyl 3-chloroquinoxaline-6-carboxylate,
948833-63-4,
6-Quinoxalinecarboxylic acid, 3-chloro-, methyl ester,
SCHEMBL4206695,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number