| CAS Number | 54314-83-9 |
| Catalog Number | AG01BVAL |
| Chemical Name | 1-Bromo-3-(chloromethoxy)propane |
| IUPAC Name | 1-bromo-3-(chloromethoxy)propane |
| InChI | InChI=1S/C4H8BrClO/c5-2-1-3-7-4-6/h1-4H2 |
| InChI Key | UMGFNULODFNOJN-UHFFFAOYSA-N |
| MDL Number | MFCD20622058 |
| Molecular Formula | C4H8BrClO |
| Molecular Weight | 187.4627 |
| SMILES | ClCOCCCBr |
| Synonyms | 1-bromo-3-(chloromethoxy)propane,
3-Bromopropylchloromethyl ether,
54314-83-9,
AC1MY0MB,
3-chloromethoxy-1-bromopropane,
DTXSID3021512,
SCHEMBL11610306,
NOCAS_21512,
UMGFNULODFNOJN-UHFFFAOYSA-N,
CID3799013,
|
| Complexity | 34.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.461g/mol |
| Monoisotopic Mass | 185.945g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number