2-Bromo-4-methylcyclohexanone - CAS 27579-55-1
Catalog: |
BB071205 |
Product Name: |
2-Bromo-4-methylcyclohexanone |
CAS: |
27579-55-1 |
Synonyms: |
2-Bromo-4-methylcyclohexan-1-one; 2-Bromo-4-methylcyclohexanone; 2-bromo-4-methyl-cyclohexanone |
IUPAC Name: | 2-bromo-4-methylcyclohexan-1-one |
Molecular Weight: | 191.07 |
Molecular Formula: | C7H11BrO |
Canonical SMILES: | CC1CCC(=O)C(C1)Br |
InChI: | InChI=1S/C7H11BrO/c1-5-2-3-7(9)6(8)4-5/h5-6H,2-4H2,1H3 |
InChI Key: | ZGKHYOAPWMMURT-UHFFFAOYSA-N |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.99933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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