5-Bromo-2,2-dimethylindan-1-one - CAS 495414-32-9
Catalog: |
BB072789 |
Product Name: |
5-Bromo-2,2-dimethylindan-1-one |
CAS: |
495414-32-9 |
Synonyms: |
5-bromo-2,2-dimethyl-2,3-dihydro-1H-inden-1-one; 5-bromo-2,2-dimethyl-3H-inden-1-one; 5-Bromo-2,2-dimethylindan-1-one; 1H-Inden-1-one, 5-bromo-2,3-dihydro-2,2-dimethyl-; 2,2-dimethyl-5-bromo-1-indanone |
IUPAC Name: | 5-bromo-2,2-dimethyl-3H-inden-1-one |
Molecular Weight: | 239.11 |
Molecular Formula: | C11H11BrO |
Canonical SMILES: | CC1(CC2=C(C1=O)C=CC(=C2)Br)C |
InChI: | InChI=1S/C11H11BrO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5H,6H2,1-2H3 |
InChI Key: | GCRNUNIYUKQVGO-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.99933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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