| CAS Number | 79208-84-7 |
| Catalog Number | AG01B695 |
| Chemical Name | 6'-bromo-1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one |
| IUPAC Name | 6-bromospiro[1H-indole-3,1'-cyclopentane]-2-one |
| InChI | InChI=1S/C12H12BrNO/c13-8-3-4-9-10(7-8)14-11(15)12(9)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15) |
| InChI Key | ZMPCUZFOHRIVNY-UHFFFAOYSA-N |
| MDL Number | MFCD19703309 |
| Molecular Formula | C12H12BrNO |
| Molecular Weight | 266.1338 |
| SMILES | BrC1=CC=C2C3(C(NC2=C1)=O)CCCC3 |
| Synonyms | 79208-84-7,
6'-bromo-1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one,
6'-Bromospiro[cyclopentane-1,3'-indolin]-2'-one,
6'-bromo-spiro[cyclopentane-1,3'-indolin]-2'-one,
SCHEMBL1224056,
ZMPCUZFOHRIVNY-UHFFFAOYSA-N,
ZINC107254993,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.138g/mol |
| Monoisotopic Mass | 265.01g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number