| CAS Number | 745817-23-6 |
| Catalog Number | AG00ICJE(AGN-PC-004DRA) |
| Chemical Name | 1-(1-Bromo-3-chloropropyl)-4-chlorobenzene |
| IUPAC Name | 1-(1-bromo-3-chloropropyl)-4-chlorobenzene |
| InChI | InChI=1S/C9H9BrCl2/c10-9(5-6-11)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2 |
| InChI Key | JYFDEUATKCTIDE-UHFFFAOYSA-N |
| MDL Number | MFCD25966870 |
| Molecular Formula | C9H9BrCl2 |
| Molecular Weight | 267.9778 |
| SMILES | ClCCC(c1ccc(cc1)Cl)Br |
| Synonyms | 1-(1-Bromo-3-chloropropyl)-4-chlorobenzene,
745817-23-6,
1-bromo-1-(4-chlorophenyl)-3-chloropropane,
Benzene, 1-(1-bromo-3-chloropropyl)-4-chloro-,
CID11207895,
1-(1-bromo-3-chloro-propyl)-4-chloro-benzene,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.975g/mol |
| Monoisotopic Mass | 265.926g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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