| CAS Number | 21326-62-5 |
| Catalog Number | AG00BNOF(AGN-PC-03CZ1F) |
| Chemical Name | 3-Chloro-2-methylbutan-2-ol |
| IUPAC Name | 3-chloro-2-methylbutan-2-ol |
| InChI | InChI=1S/C5H11ClO/c1-4(6)5(2,3)7/h4,7H,1-3H3 |
| InChI Key | YYHQXKBKFKTDMP-UHFFFAOYSA-N |
| MDL Number | MFCD09908012 |
| Molecular Formula | C5H11ClO |
| Molecular Weight | 122.5932 |
| SMILES | CC(C(O)(C)C)Cl |
| Synonyms | 3-Chloro-2-methylbutan-2-ol,
21326-62-5,
3-chloro-2-methyl-butan-2-ol,
SCHEMBL10544628,
CTK8H5931,
DTXSID80615934,
AKOS006310218,
3-CHLORO-2-METHYL-2-BUTANOL,
|
| Complexity | 61.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.592g/mol |
| Monoisotopic Mass | 122.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number