| CAS Number | 1154278-32-6 |
| Catalog Number | AG01AI9Z(AGN-PC-0WO88V) |
| Chemical Name | methyl 2-(5-nitrothiophen-2-yl)acetate |
| IUPAC Name | methyl 2-(5-nitrothiophen-2-yl)acetate |
| InChI | InChI=1S/C7H7NO4S/c1-12-7(9)4-5-2-3-6(13-5)8(10)11/h2-3H,4H2,1H3 |
| InChI Key | BYXXCKXNNUMAJX-UHFFFAOYSA-N |
| MDL Number | MFCD12172986 |
| Molecular Formula | C7H7NO4S |
| Molecular Weight | 201.1998 |
| SMILES | [N+](=O)([O-])C1=CC=C(S1)CC(=O)OC |
| Synonyms | methyl 2-(5-nitrothiophen-2-yl)acetate,
1154278-32-6,
ZINC35333498,
AKOS009487971,
MCULE-3304224122,
NE50633,
methyl 2-(5-nitrothiophen-2-yl)ethanoate,
EN300-77154,
Z1258943386,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.196g/mol |
| Monoisotopic Mass | 201.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number