| CAS Number | 866862-25-1 |
| Catalog Number | AG00GYDU(AGN-PC-0WAM9L) |
| Chemical Name | 1H-INDEN-1-ONE, 5-BROMO-6-FLUORO-2,3-DIHYDRO- |
| IUPAC Name | 5-bromo-6-fluoro-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H6BrFO/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2 |
| InChI Key | NPJWOVWPFKCPHM-UHFFFAOYSA-N |
| MDL Number | MFCD18647721 |
| Molecular Formula | C9H6BrFO |
| Molecular Weight | 229.0457 |
| SMILES | O=C1CCC2=C1C=C(F)C(Br)=C2 |
| Synonyms | 5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-one,
866862-25-1,
1H-INDEN-1-ONE, 5-BROMO-6-FLUORO-2,3-DIHYDRO-,
SCHEMBL4808913,
5-Bromo-6-fluoro-indan-1-one,
NPJWOVWPFKCPHM-UHFFFAOYSA-N,
MFCD18647721,
ZINC95935689,
AKOS025395746,
DS-8134,
EBD3321684,
QC-8382,
AK172693,
5-bromo-6-fluoro-2,3-dihydroinden-1-one,
ACN-030616,
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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 | 227.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.048g/mol |
| Monoisotopic Mass | 227.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number