| CAS Number | 790713-42-7 |
| Catalog Number | AG01C0FJ |
| Chemical Name | 2-tert-butyl-5-(chloromethyl)furan |
| IUPAC Name | 2-tert-butyl-5-(chloromethyl)furan |
| InChI | InChI=1S/C9H13ClO/c1-9(2,3)8-5-4-7(6-10)11-8/h4-5H,6H2,1-3H3 |
| InChI Key | ZKDMXMYTVCUCJU-UHFFFAOYSA-N |
| MDL Number | MFCD20625008 |
| Molecular Formula | C9H13ClO |
| Molecular Weight | 172.6519 |
| SMILES | CC(C1OC(CCl)=CC=1)(C)C |
| Synonyms | 2-(tert-butyl)-5-(chloromethyl)furan,
790713-42-7,
2-tert-butyl-5-(chloromethyl)furan,
ZINC238122118,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.652g/mol |
| Monoisotopic Mass | 172.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number