5-Bromo-2,2-dimethyl-1-hydroxyindane - CAS 371251-54-6
Catalog: |
BB073360 |
Product Name: |
5-Bromo-2,2-dimethyl-1-hydroxyindane |
CAS: |
371251-54-6 |
Synonyms: |
5-Bromo-2,2-dimethyl-2,3-dihydro-1H-inden-1-ol; 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol |
IUPAC Name: | 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol |
Molecular Weight: | 241.12 |
Molecular Formula: | C11H13BrO |
Canonical SMILES: | CC1(CC2=C(C1O)C=CC(=C2)Br)C |
InChI: | InChI=1S/C11H13BrO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5,10,13H,6H2,1-2H3 |
InChI Key: | NVQXKESNTGWMBI-UHFFFAOYSA-N |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.01498 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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