| CAS Number | 383148-16-1 |
| Catalog Number | AG00I7MR(AGN-PC-0WARUH) |
| Chemical Name | 1-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15) |
| InChI Key | WOXSOWNHMJIIQU-UHFFFAOYSA-N |
| MDL Number | MFCD03011828 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | OC(C1N(C2=CC=C(Br)C=C2)C=CC=1)=O |
| Synonyms | 1-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid,
383148-16-1,
Bionet2_001278,
AC1LSOWA,
Oprea1_777062,
HMS1367K02,
KS-00001U0Y,
ZINC1407057,
BBL021839,
KM4468,
MFCD03011828,
STK894556,
AKOS005083827,
MCULE-1479325550,
1-(4-bromophenyl)pyrrole-2-carboxylic acid,
1T-0601,
CID1491696,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/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