| CAS Number | 98429-79-9 |
| Catalog Number | AG019WB7(AGN-PC-0WO191) |
| Chemical Name | 1-(2-chloroethoxy)-3-methylbutane |
| IUPAC Name | 1-(2-chloroethoxy)-3-methylbutane |
| InChI | InChI=1S/C7H15ClO/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3 |
| InChI Key | XIRZIFKLTQCIEC-UHFFFAOYSA-N |
| MDL Number | MFCD11102096 |
| Molecular Formula | C7H15ClO |
| Molecular Weight | 150.6464 |
| SMILES | CC(CCOCCCl)C |
| Synonyms | 1-(2-chloroethoxy)-3-methylbutane,
98429-79-9,
AC1Q1PHB,
SCHEMBL13755979,
CTK6H8584,
ZINC34959720,
AKOS009293598,
NE23911,
EN300-51312,
|
| Complexity | 54.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.646g/mol |
| Monoisotopic Mass | 150.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number