4- Bromo- 3- methyl-2-buten-1-ol - CAS 2089570-85-2
Catalog: |
BB055070 |
Product Name: |
4- Bromo- 3- methyl-2-buten-1-ol |
CAS: |
2089570-85-2 |
Synonyms: |
4-bromo-3-methylbut-2-en-1-ol |
IUPAC Name: | (E)-4-bromo-3-methylbut-2-en-1-ol |
Molecular Weight: | 165.03 |
Molecular Formula: | C5H9BrO |
Canonical SMILES: | CC(=CCO)CBr |
InChI: | InChI=1S/C5H9BrO/c1-5(4-6)2-3-7/h2,7H,3-4H2,1H3/b5-2+ |
InChI Key: | DSQXMIYNGKOIQC-GORDUTHDSA-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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 68.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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