| CAS Number | 165730-10-9 |
| Catalog Number | AG00AX44(AGN-PC-02M6GC) |
| Chemical Name | 6-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE |
| IUPAC Name | 6-bromo-2,2-dimethyl-3H-inden-1-one |
| InChI | InChI=1S/C11H11BrO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3 |
| InChI Key | ILFZPAUIJLEEAO-UHFFFAOYSA-N |
| MDL Number | MFCD11219442 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | BrC1=CC=C2CC(C(C2=C1)=O)(C)C |
| Synonyms | 165730-10-9,
6-bromo-2,2-dimethyl-2,3-dihydro-1H-inden-1-one,
1H-Inden-1-one, 6-bromo-2,3-dihydro-2,2-dimethyl-,
SCHEMBL1572850,
6-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE,
DTXSID10602236,
ILFZPAUIJLEEAO-UHFFFAOYSA-N,
6-bromo-2,2-dimethyl-indan-1-one,
ZINC59027410,
AKOS023664810,
Z2065464304,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.112g/mol |
| Monoisotopic Mass | 237.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number