2-Bromo-2-methylcyclohexanone - CAS 10409-47-9
Catalog: |
BB074130 |
Product Name: |
2-Bromo-2-methylcyclohexanone |
CAS: |
10409-47-9 |
Synonyms: |
2-bromo-2-methylcyclohexanone; 2-bromo-2-methylcyclohexan-1-one; 2-bromo-2-methyl-1-cyclohexanone |
IUPAC Name: | 2-bromo-2-methylcyclohexan-1-one |
Molecular Weight: | 191.07 |
Molecular Formula: | C7H11BrO |
Canonical SMILES: | CC1(CCCCC1=O)Br |
InChI: | InChI=1S/C7H11BrO/c1-7(8)5-3-2-4-6(7)9/h2-5H2,1H3 |
InChI Key: | NRPGPYHKXNYPCG-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 133 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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