5-Bromo-4-methylpentanoic Acid - CAS 89599-50-8
Catalog: |
BB070807 |
Product Name: |
5-Bromo-4-methylpentanoic Acid |
CAS: |
89599-50-8 |
Synonyms: |
5-bromo-4-methylpentanoic acid |
IUPAC Name: | 5-bromo-4-methylpentanoic acid |
Molecular Weight: | 195.05 |
Molecular Formula: | C6H11BrO2 |
Canonical SMILES: | CC(CCC(=O)O)CBr |
InChI: | InChI=1S/C6H11BrO2/c1-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9) |
InChI Key: | DCDCGYCMMJLNKE-UHFFFAOYSA-N |
References: | Brettle, R., et al. J. Chem. Soc., 4286 (1962). |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99424 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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