| CAS Number | 1361193-25-0 |
| Catalog Number | AG00A12B(AGN-PC-0WRA4L) |
| Chemical Name | 6-Bromo-2,3-dihydro-1h-inden-1-one oxime |
| IUPAC Name | N-(6-bromo-2,3-dihydroinden-1-ylidene)hydroxylamine |
| InChI | InChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,12H,2,4H2 |
| InChI Key | AAKSFBFMXXWCSH-UHFFFAOYSA-N |
| MDL Number | MFCD24539274 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O/N=C/1CCc2c1cc(Br)cc2 |
| Synonyms | 6-Bromo-2,3-dihydro-1h-inden-1-one oxime,
1361193-25-0,
6-Bromo-2,3-dihydro-1H-inden-1-oneoxime,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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