| CAS Number | 6089-17-4 |
| Catalog Number | AG00EAYF(AGN-PC-00KY21) |
| Chemical Name | 2-Butanol, 4-bromo- |
| IUPAC Name | 4-bromobutan-2-ol |
| InChI | InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3 |
| InChI Key | KHZTWUIVCAAVDC-UHFFFAOYSA-N |
| MDL Number | MFCD00015387 |
| Molecular Formula | C4H9BrO |
| Molecular Weight | 153.0177 |
| SMILES | CC(O)CCBr |
| Synonyms | 4-bromobutan-2-ol,
6089-17-4,
2-Butanol, 4-bromo-, (2R)-,
1-bromo-3-butanol,
ACMC-20le0p,
2-butanol, 4-bromo-,
1-bromo-3-hydroxybutane,
4-BROMO-2-BUTANOL,
SCHEMBL2071025,
KHZTWUIVCAAVDC-UHFFFAOYSA-N,
88785-04-0,
4-Bromo-1-butanol,
|
| Complexity | 30.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.019g/mol |
| Monoisotopic Mass | 151.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number