| CAS Number | 89942-18-7 |
| Catalog Number | AG006NXT(AGN-PC-00MCKN) |
| Chemical Name | 1,3-Dioxolane, 4-(2-bromoethyl)-2,2-dimethyl- |
| IUPAC Name | 4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane |
| InChI | InChI=1S/C7H13BrO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3 |
| InChI Key | SCINDQADIBQHKD-UHFFFAOYSA-N |
| MDL Number | MFCD24458872 |
| Molecular Formula | C7H13BrO2 |
| Molecular Weight | 209.0809 |
| SMILES | BrCCC1COC(O1)(C)C |
| Synonyms | 89942-18-7,
1,3-Dioxolane, 4-(2-bromoethyl)-2,2-dimethyl-,
4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane,
ACMC-20ls3p,
SCHEMBL1078656,
CTK2I1191,
DTXSID20538315,
SCINDQADIBQHKD-UHFFFAOYSA-N,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.083g/mol |
| Monoisotopic Mass | 208.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number