| CAS Number | 252026-66-7 |
| Catalog Number | AG00IMWO(AGN-PC-0WAPDV) |
| Chemical Name | 3-(4-Nitrophenoxy)thiophene-2-carboxylic acid |
| IUPAC Name | 3-(4-nitrophenoxy)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H7NO5S/c13-11(14)10-9(5-6-18-10)17-8-3-1-7(2-4-8)12(15)16/h1-6H,(H,13,14) |
| InChI Key | BOSTZGBMJSOKIC-UHFFFAOYSA-N |
| MDL Number | MFCD00202718 |
| Molecular Formula | C11H7NO5S |
| Molecular Weight | 265.2420 |
| SMILES | [N+](=O)([O-])C1=CC=C(OC2=C(SC=C2)C(=O)O)C=C1 |
| Synonyms | 3-(4-nitrophenoxy)-2-thiophenecarboxylic acid,
3-(4-nitrophenoxy)thiophene-2-carboxylic Acid,
252026-66-7,
AC1MCAWN,
Oprea1_045400,
CTK5I3298,
KS-00001QPX,
ZINC166264,
MFCD00202718,
SBB102908,
AKOS005069198,
MCULE-8212270982,
RP14908,
10H-364S,
TR-062469,
CID2765176,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.239g/mol |
| Monoisotopic Mass | 265.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number