| CAS Number | 36402-31-0 |
| Catalog Number | AG01B8RJ(AGN-PC-0WOEW2) |
| Chemical Name | 1-chloro-3,3-dimethylbutan-2-ol |
| IUPAC Name | 1-chloro-3,3-dimethylbutan-2-ol |
| InChI | InChI=1S/C6H13ClO/c1-6(2,3)5(8)4-7/h5,8H,4H2,1-3H3 |
| InChI Key | RAZKFVKCTUWXHO-UHFFFAOYSA-N |
| MDL Number | MFCD19232584 |
| Molecular Formula | C6H13ClO |
| Molecular Weight | 136.6198 |
| SMILES | CC(C(CCl)O)(C)C |
| Synonyms | 1-chloro-3,3-dimethylbutan-2-ol,
36402-31-0,
SCHEMBL11821267,
1-Chloro-3,3-dimethyl-2-butanol,
AKOS006387371,
1-chloro-3,3-dimethyl-butan-2-ol,
CID11804820,
|
| Complexity | 65.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.619g/mol |
| Monoisotopic Mass | 136.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number