| CAS Number | 1956310-57-8 |
| Catalog Number | AG01DL5F |
| Chemical Name | ethyl 2-(5-bromo-2-nitrothiophen-3-yl)acetate |
| IUPAC Name | ethyl 2-(5-bromo-2-nitrothiophen-3-yl)acetate |
| InChI | InChI=1S/C8H8BrNO4S/c1-2-14-7(11)4-5-3-6(9)15-8(5)10(12)13/h3H,2,4H2,1H3 |
| InChI Key | BCHKBSZYSSBCQW-UHFFFAOYSA-N |
| MDL Number | MFCD21362359 |
| Molecular Formula | C8H8BrNO4S |
| Molecular Weight | 294.1224 |
| SMILES | CCOC(=O)Cc1cc(Br)sc1[N+]([O-])=O |
| Synonyms | Ethyl 2-(5-bromo-2-nitrothiophen-3-yl)acetate,
1956310-57-8,
(5-BROMO-2-NITRO-THIOPHEN-3-YL)-ACETIC ACID ETHYL ESTER,
MFCD21362359,
ZINC261506803,
CS-0039819,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.119g/mol |
| Monoisotopic Mass | 292.936g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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