| CAS Number | 663949-34-6 |
| Catalog Number | AG00FEJ9(AGN-PC-0HFA47) |
| Chemical Name | 1-Bromo-3-n-octylbenzene |
| IUPAC Name | 1-bromo-3-octylbenzene |
| InChI | InChI=1S/C14H21Br/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h8,10-12H,2-7,9H2,1H3 |
| InChI Key | SVXNIBGYTOIBPP-UHFFFAOYSA-N |
| MDL Number | MFCD28369418 |
| Molecular Formula | C14H21Br |
| Molecular Weight | 269.2205 |
| SMILES | CCCCCCCCC1=CC(=CC=C1)Br |
| Synonyms | 1-Bromo-3-n-octylbenzene,
663949-34-6,
1-Bromo-3-octylbenzene,
1-Octyl-3-bromobenzene,
SCHEMBL2442972,
MFCD28369418,
ZINC118909094,
J3.590.503K,
B4817,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.226g/mol |
| Monoisotopic Mass | 268.083g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number