| CAS Number | 1341073-10-6 |
| Catalog Number | AG01DU59(AGN-PC-0WNGJK) |
| Chemical Name | 7-Bromo-5,8-Difluoro-3,4-Dihydronaphthalen-1(2H)-One |
| IUPAC Name | 7-bromo-5,8-difluoro-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C10H7BrF2O/c11-6-4-7(12)5-2-1-3-8(14)9(5)10(6)13/h4H,1-3H2 |
| InChI Key | MMYXHOJQTUXBBJ-UHFFFAOYSA-N |
| MDL Number | MFCD19671581 |
| Molecular Formula | C10H7BrF2O |
| Molecular Weight | 261.0628 |
| SMILES | BrC1=CC(=C2CCCC(C2=C1F)=O)F |
| Synonyms | 7-Bromo-5,8-difluoro-3,4-dihydronaphthalen-1(2H)-one,
1341073-10-6,
7-bromo-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-one,
MFCD19671581,
ZINC70023339,
AKOS013534470,
AK608022,
DS-19797,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.066g/mol |
| Monoisotopic Mass | 259.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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