| CAS Number | 1245514-96-8 |
| Catalog Number | AG009YTT(AGN-PC-0WG47C) |
| Chemical Name | 6'-Bromospiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione |
| IUPAC Name | 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione |
| InChI | InChI=1S/C14H13BrO2/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-2,7H,3-6,8H2 |
| InChI Key | DPXQBNIZPADHOT-UHFFFAOYSA-N |
| MDL Number | MFCD22574020 |
| Molecular Formula | C14H13BrO2 |
| Molecular Weight | 293.1558 |
| SMILES | Brc1ccc2CC3(CCC(=O)CC3)C(=O)c2c1 |
| Synonyms | 6'-BROMOSPIRO[CYCLOHEXANE-1,2'-INDENE]-1',4(3'H)-DIONE,
1245514-96-8,
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione,
SCHEMBL30482,
DPXQBNIZPADHOT-UHFFFAOYSA-N,
BCP24640,
MFCD22574020,
ZINC91692043,
AKOS027255526,
TZ000580,
CS-0036993,
6'-bromospiro[cyclohexane-1,2'-indene]-1',4 (3'H)-dione,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.16g/mol |
| Monoisotopic Mass | 292.01g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number