| CAS Number | 1096868-11-9 |
| Catalog Number | AG01AGMX |
| Chemical Name | 4-(2-nitrophenyl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-(2-nitrophenyl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C11H8N2O4/c14-11(15)9-6-12-5-8(9)7-3-1-2-4-10(7)13(16)17/h1-6,12H,(H,14,15) |
| InChI Key | ZONKYJWPYYDWNJ-UHFFFAOYSA-N |
| MDL Number | MFCD11217952 |
| Molecular Formula | C11H8N2O4 |
| Molecular Weight | 232.1922 |
| SMILES | OC(C1C(C2=C([N+]([O-])=O)C=CC=C2)=CNC=1)=O |
| Synonyms | 4-(2-nitrophenyl)-1H-pyrrole-3-carboxylic acid,
1096868-11-9,
AC1Q740L,
ZINC37245318,
AKOS008129038,
MCULE-3276218135,
EN300-72292,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.195g/mol |
| Monoisotopic Mass | 232.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number