Isoprene Bromohydrin - CAS 36219-40-6
Catalog: |
BB063864 |
Product Name: |
Isoprene Bromohydrin |
CAS: |
36219-40-6 |
Synonyms: |
1-Bromo-2-methyl-3-buten-2-ol; 4-Bromo-3-hydroxy-3-methyl-1-butene; 4-Bromo-3-methyl-3-hydroxy-1-butene |
IUPAC Name: | 1-bromo-2-methylbut-3-en-2-ol |
Description: | Isoprene Bromohydrin is used in the synthesis of new retinoid analogs. |
Molecular Weight: | 165.03 |
Molecular Formula: | C5H9BrO |
Canonical SMILES: | CC(CBr)(C=C)O |
InChI: | InChI=1S/C5H9BrO/c1-3-5(2,7)4-6/h3,7H,1,4H2,2H3 |
InChI Key: | SWDKFXGQEDWIFI-UHFFFAOYSA-N |
Solubility: | DCM, DMSO, Ethyl Acetate, Methanol |
Appearance: | Yellow Oil |
References: | Lambertin, F., et al. Euro. J. Org. Chem., 6, 1489 (1999). |
Complexity: | 72.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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