| CAS Number | 1160574-94-6 |
| Catalog Number | AG01EQTX(AGN-PC-3H47BL) |
| Chemical Name | 3,4-Dibromo-n-butylbenzene |
| IUPAC Name | 1,2-dibromo-4-butylbenzene |
| InChI | InChI=1S/C10H12Br2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4H2,1H3 |
| InChI Key | STZMSCFYHQHBGX-UHFFFAOYSA-N |
| MDL Number | MFCD11845943 |
| Molecular Formula | C10H12Br2 |
| Molecular Weight | 292.0103 |
| SMILES | C1(CCCC)=CC=C(Br)C(Br)=C1 |
| Synonyms | 1,2-dibromo-4-butylbenzene,
1160574-94-6,
3,4-Dibromo-n-butylbenzene,
ZINC65356425,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.014g/mol |
| Monoisotopic Mass | 289.931g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
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