| CAS Number | 65473-91-8 |
| Catalog Number | AG00ITFF(AGN-PC-0LL6MK) |
| Chemical Name | Ethyl 5-(4-bromophenyl)-2-phenyl-1H-pyrrole-3-carboxylate |
| IUPAC Name | ethyl 5-(4-bromophenyl)-2-phenyl-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C19H16BrNO2/c1-2-23-19(22)16-12-17(13-8-10-15(20)11-9-13)21-18(16)14-6-4-3-5-7-14/h3-12,21H,2H2,1H3 |
| InChI Key | UKQFMOLPXRFZKK-UHFFFAOYSA-N |
| MDL Number | MFCD00245789 |
| Molecular Formula | C19H16BrNO2 |
| Molecular Weight | 370.2398 |
| SMILES | [Br]C3(=CC=C(C=2(NC(C1(=CC=CC=C1))=C(C=2)C(=O)OCC))C=C3) |
| Synonyms | Ethyl 5-(4-bromophenyl)-2-phenyl-1H-pyrrole-3-carboxylate,
65473-91-8,
ethyl 5-(4-bromophenyl)-2-phenylpyrrole-3-carboxylate,
AC1NMX8Y,
CTK6F5791,
ZINC2561997,
MFCD00245789,
SBB061921,
AKOS005109296,
MCULE-6914061859,
MS-7283,
KS-0000291O,
OR311085,
CID5017560,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.246g/mol |
| Monoisotopic Mass | 369.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number