| CAS Number | 908576-63-6 |
| Catalog Number | AG019X9K |
| Chemical Name | 1-(3-Bromopropoxy)-3-iodobenzene |
| IUPAC Name | 1-(3-bromopropoxy)-3-iodobenzene |
| InChI | InChI=1S/C9H10BrIO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7H,2,5-6H2 |
| InChI Key | LZYAADAPQLXKRV-UHFFFAOYSA-N |
| MDL Number | MFCD11182883 |
| Molecular Formula | C9H10BrIO |
| Molecular Weight | 340.9836 |
| SMILES | BrCCCOC1=CC(I)=CC=C1 |
| Synonyms | 1-(3-bromopropoxy)-3-iodobenzene,
908576-63-6,
AC1Q27X4,
CTK5J0298,
1-Iodo-3-(3-bromopropoxy)benzene,
ZINC36904198,
AKOS008122463,
MCULE-7067194743,
NE15064,
EN300-54423,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.986g/mol |
| Monoisotopic Mass | 339.896g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number