| CAS Number | 609844-40-8 |
| Catalog Number | AG019ZMK(AGN-PC-06GIJC) |
| Chemical Name | 3-Bromo-1-methyl-2-phenyl-1H-indole |
| IUPAC Name | 3-bromo-1-methyl-2-phenylindole |
| InChI | InChI=1S/C15H12BrN/c1-17-13-10-6-5-9-12(13)14(16)15(17)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChI Key | SOYJVFMQOKCVQX-UHFFFAOYSA-N |
| MDL Number | MFCD11179425 |
| Molecular Formula | C15H12BrN |
| Molecular Weight | 286.1665 |
| SMILES | CN1C2=C(C=CC=C2)C(Br)=C1C1=CC=CC=C1 |
| Synonyms | 3-bromo-1-methyl-2-phenyl-1H-indole,
609844-40-8,
ZINC36893189,
1-Methyl-2-phenyl-3-bromo-1H-indole,
NE26946,
RP29941,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.172g/mol |
| Monoisotopic Mass | 285.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number