| CAS Number | 57918-67-9 |
| Catalog Number | AG01A6H5 |
| Chemical Name | 1-Bromo-2-(3-chloropropyl)benzene |
| IUPAC Name | 1-bromo-2-(3-chloropropyl)benzene |
| InChI | InChI=1S/C9H10BrCl/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7H2 |
| InChI Key | DHDIKCHDLQSPLG-UHFFFAOYSA-N |
| MDL Number | MFCD09744302 |
| Molecular Formula | C9H10BrCl |
| Molecular Weight | 233.5327 |
| SMILES | ClCCCC1=C(Br)C=CC=C1 |
| Synonyms | 1-BROMO-2-(3-CHLOROPROPYL)BENZENE,
57918-67-9,
SCHEMBL6680505,
ZINC60711157,
AKOS011897141,
NE35573,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.533g/mol |
| Monoisotopic Mass | 231.965g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number