| CAS Number | 1017473-75-4 |
| Catalog Number | AG01A93V |
| Chemical Name | 5-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 5-(4-bromophenyl)-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C12H10BrNO2/c1-14-10(6-7-11(14)12(15)16)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16) |
| InChI Key | JGCCVGLWMIQGDJ-UHFFFAOYSA-N |
| MDL Number | MFCD10006413 |
| Molecular Formula | C12H10BrNO2 |
| Molecular Weight | 280.1173 |
| SMILES | CN1C(C2=CC=C(Br)C=C2)=CC=C1C(O)=O |
| Synonyms | 5-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid,
1017473-75-4,
AC1Q3XLV,
ZINC11730400,
AKOS002676512,
MCULE-8918371533,
NE43010,
EN300-64112,
F2121-0288,
Z1270387263,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.121g/mol |
| Monoisotopic Mass | 278.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number