1-Bromo-4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one - CAS 1253789-97-7
Catalog: |
BB072027 |
Product Name: |
1-Bromo-4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one |
CAS: |
1253789-97-7 |
Synonyms: |
1-Bromo-4-fluoro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one; 1-Bromo-4-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one; 5H-Benzocyclohepten-5-one, 1-bromo-4-fluoro-6,7,8,9-tetrahydro- |
IUPAC Name: | 1-bromo-4-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one |
Molecular Weight: | 257.1 |
Molecular Formula: | C11H10BrFO |
Canonical SMILES: | C1CCC(=O)C2=C(C=CC(=C2C1)Br)F |
InChI: | InChI=1S/C11H10BrFO/c12-8-5-6-9(13)11-7(8)3-1-2-4-10(11)14/h5-6H,1-4H2 |
InChI Key: | IGPLVEFINYOCIR-UHFFFAOYSA-N |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.98991 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.98991 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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