Bis(5-bromo-2-fluorophenyl)ethane-1,2-dione - CAS 1352318-09-2
Catalog: |
BB073274 |
Product Name: |
Bis(5-bromo-2-fluorophenyl)ethane-1,2-dione |
CAS: |
1352318-09-2 |
Synonyms: |
Bis(5-bromo-2-fluorophenyl)ethane-1,2-dione; 1,2-bis(5-bromo-2-fluorophenyl)ethane-1,2-dione |
IUPAC Name: | 1,2-bis(5-bromo-2-fluorophenyl)ethane-1,2-dione |
Description: | Bis(5-bromo-2-fluorophenyl)ethane-1,2-dione |
Molecular Weight: | 404 |
Molecular Formula: | C14H6Br2F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)F)F |
InChI: | InChI=1S/C14H6Br2F2O2/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6H |
InChI Key: | VWXKEIVVWRZVLY-UHFFFAOYSA-N |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 403.86821 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 401.87026 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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