| CAS Number | 478031-23-1 |
| Catalog Number | AG00IONX(AGN-PC-0WASYA) |
| Chemical Name | [4-(4-bromophenyl)-1H-pyrrol-3-yl](phenyl)methanone |
| IUPAC Name | [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanone |
| InChI | InChI=1S/C17H12BrNO/c18-14-8-6-12(7-9-14)15-10-19-11-16(15)17(20)13-4-2-1-3-5-13/h1-11,19H |
| InChI Key | CYVBQOLDVRMPEM-UHFFFAOYSA-N |
| MDL Number | MFCD00794455 |
| Molecular Formula | C17H12BrNO |
| Molecular Weight | 326.1873 |
| SMILES | [Br]C3(=CC=C(C=2(C(C(=O)C1(=CC=CC=C1))=CNC=2))C=C3) |
| Synonyms | 478031-23-1,
[4-(4-bromophenyl)-1H-pyrrol-3-yl](phenyl)methanone,
(4-(4-Bromophenyl)-1H-pyrrol-3-yl)(phenyl)methanone,
3-benzoyl-4-(4-bromophenyl)-1H-pyrrole,
AC1MXL48,
KS-00001VJC,
ZINC3105269,
AKOS005088575,
3L-506S,
MCULE-9244709330,
[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanone,
CID3767355,
[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenyl-methanone,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.193g/mol |
| Monoisotopic Mass | 325.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number