5-Bromo-2-methyl-2-pentanol - CAS 21871-76-1
Catalog: |
BB071971 |
Product Name: |
5-Bromo-2-methyl-2-pentanol |
CAS: |
21871-76-1 |
Synonyms: |
5-bromo-2-methyl-2-pentanol; 5-Bromo-2-methylpentan-2-ol; 5-Bromo-2-methyl-pentan-2-ol |
IUPAC Name: | 5-bromo-2-methylpentan-2-ol |
Molecular Weight: | 181.07 |
Molecular Formula: | C6H13BrO |
Canonical SMILES: | CC(C)(CCCBr)O |
InChI: | InChI=1S/C6H13BrO/c1-6(2,8)4-3-5-7/h8H,3-5H2,1-2H3 |
InChI Key: | BGQUPQDZDIVJHO-UHFFFAOYSA-N |
Complexity: | 61.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01498 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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