| CAS Number | 129254-79-1 |
| Catalog Number | AG01B7HB |
| Chemical Name | 1-(4-Bromobutyl)-3-chlorobenzene |
| IUPAC Name | 1-(4-bromobutyl)-3-chlorobenzene |
| InChI | InChI=1S/C10H12BrCl/c11-7-2-1-4-9-5-3-6-10(12)8-9/h3,5-6,8H,1-2,4,7H2 |
| InChI Key | KXBDBMKKJBOFOF-UHFFFAOYSA-N |
| MDL Number | MFCD20343091 |
| Molecular Formula | C10H12BrCl |
| Molecular Weight | 247.5593 |
| SMILES | C1=CC(=CC(=C1)Cl)CCCCBr |
| Synonyms | 1-(4-bromobutyl)-3-chlorobenzene,
129254-79-1,
ZINC70791464,
AKOS013831463,
benzene, 1-(4-bromobutyl)-3-chloro-,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.56g/mol |
| Monoisotopic Mass | 245.981g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number