| CAS Number | 159152-11-1 |
| Catalog Number | AG001QIA(AGN-PC-00H3NP) |
| Chemical Name | 4-(Dipyrrol-2-yl)methylbromobenzene |
| IUPAC Name | 2-[(4-bromophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole |
| InChI | InChI=1S/C15H13BrN2/c16-12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14/h1-10,15,17-18H |
| InChI Key | SJDXTHJAKNMBFS-UHFFFAOYSA-N |
| MDL Number | MFCD08669616 |
| Molecular Formula | C15H13BrN2 |
| Molecular Weight | 301.1811 |
| SMILES | Brc1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1 |
| Synonyms | 5-(4-BROMOPHENYL)DIPYRROMETHANE,
159152-11-1,
4-(DIPYRROL-2-YL)METHYLBROMOBENZENE,
2,2'-((4-Bromophenyl)methylene)bis(1H-pyrrole),
SCHEMBL440120,
CTK4C9975,
DTXSID90474216,
ZINC8700553,
AKOS025394408,
RT-010078,
2,2'-(4-Bromobenzylidene)bis(1H-pyrrole),
C-1927,
J-009569,
CID11833529,
2-[(4-bromophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.187g/mol |
| Monoisotopic Mass | 300.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number