| CAS Number | 90869-31-1 |
| Catalog Number | AG01BI0N(AGN-PC-0M7P7L) |
| Chemical Name | 1-Bromo-4-(4-bromobutoxy)benzene |
| IUPAC Name | 1-bromo-4-(4-bromobutoxy)benzene |
| InChI | InChI=1S/C10H12Br2O/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2 |
| InChI Key | PFJJSJUHSJLURH-UHFFFAOYSA-N |
| MDL Number | MFCD02030564 |
| Molecular Formula | C10H12Br2O |
| Molecular Weight | 308.0097 |
| SMILES | BrCCCCOC1=CC=C(Br)C=C1 |
| Synonyms | 1-bromo-4-(4-bromobutoxy)benzene,
90869-31-1,
1-(4-BROMOBUTOXY)-4-BROMOBENZENE,
AC1OYI04,
SCHEMBL5841721,
CTK5G8548,
DTXSID20429052,
PFJJSJUHSJLURH-UHFFFAOYSA-N,
ZINC6731799,
ZINC06731799,
CID8063359,
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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 | 307.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.013g/mol |
| Monoisotopic Mass | 305.925g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number