| CAS Number | 341015-21-2 |
| Catalog Number | AG00IPHG(AGN-PC-0WAU93) |
| Chemical Name | 5-(3-Nitrophenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(3-nitrophenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H7NO4S/c13-11(14)10-5-4-9(17-10)7-2-1-3-8(6-7)12(15)16/h1-6H,(H,13,14) |
| InChI Key | GSBHPZWXHNZNTC-UHFFFAOYSA-N |
| MDL Number | MFCD06803028 |
| Molecular Formula | C11H7NO4S |
| Molecular Weight | 249.2426 |
| SMILES | [N+](=O)([O-])C=1C=C(C=CC1)C1=CC=C(S1)C(=O)O |
| Synonyms | 5-(3-nitrophenyl)-2-thiophenecarboxylic acid,
5-(3-nitrophenyl)thiophene-2-carboxylic acid,
341015-21-2,
SCHEMBL6264400,
nitrophenylthiophenecarboxylicacid,
CTK7I8346,
KS-00001X7Z,
ZINC8729732,
MFCD06803028,
SBB100556,
AKOS004116820,
MCULE-6126706658,
RP14185,
AJ-58785,
TR-063479,
4Z-0718,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.24g/mol |
| Monoisotopic Mass | 249.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number