| CAS Number | 40016-26-0 |
| Catalog Number | AG00CJWH(AGN-PC-0NI8UJ) |
| Chemical Name | 1-(Chloromethyl)-4-octylbenzene |
| IUPAC Name | 1-(chloromethyl)-4-octylbenzene |
| InChI | InChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-8,13H2,1H3 |
| InChI Key | ZVHWQQPJHLSYKL-UHFFFAOYSA-N |
| MDL Number | MFCD12923001 |
| Molecular Formula | C15H23Cl |
| Molecular Weight | 238.7961 |
| SMILES | CCCCCCCCc1ccc(CCl)cc1 |
| Synonyms | 1-(chloromethyl)-4-octylbenzene,
40016-26-0,
4-octylbenzyl chloride,
MFCD12923001,
SCHEMBL6051278,
1-Chloromethyl-4-n-octylbenzene,
ZVHWQQPJHLSYKL-UHFFFAOYSA-N,
Benzene,1-(chloromethyl)-4-octyl-,
STL302093,
AKOS015958622,
ZINC100012668,
MCULE-9702314631,
ACM40016260,
F9995-1136,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.799g/mol |
| Monoisotopic Mass | 238.149g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number