| CAS Number | 66790-63-4 |
| Catalog Number | AG00FHNK(AGN-PC-0WAMA2) |
| Chemical Name | 4-Bromo-5-chloro-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 4-bromo-5-chloro-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H6BrClO/c10-9-6-2-4-8(12)5(6)1-3-7(9)11/h1,3H,2,4H2 |
| InChI Key | JLFWUCQLFJKMGU-UHFFFAOYSA-N |
| MDL Number | MFCD18647985 |
| Molecular Formula | C9H6BrClO |
| Molecular Weight | 245.5003 |
| SMILES | O=C1CCC2=C1C=CC(Cl)=C2Br |
| Synonyms | 66790-63-4,
4-Bromo-5-chloro-2,3-dihydro-1H-inden-1-one,
4-bromo-5-chloro-1-indanone,
4-Bromo-5-chloro-indan-1-one,
SCHEMBL11663902,
MFCD18647985,
AKOS025395773,
ZINC204419590,
DS-8151,
AK172730,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.5g/mol |
| Monoisotopic Mass | 243.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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