| CAS Number | 91062-39-4 |
| Catalog Number | AG01A547(AGN-PC-03MRB4) |
| Chemical Name | 1-(Bromomethyl)-4-propylbenzene |
| IUPAC Name | 1-(bromomethyl)-4-propylbenzene |
| InChI | InChI=1S/C10H13Br/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8H2,1H3 |
| InChI Key | ICPVFOAWQNIBBW-UHFFFAOYSA-N |
| MDL Number | MFCD01930169 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CCCC1=CC=C(C=C1)CBr |
| Synonyms | 1-(bromomethyl)-4-propylbenzene,
4-Propylbenzyl bromide,
91062-39-4,
4-Propylbenzylbromide,
p-n-propylbenzyl bromide,
4-n-propylbenzyl bromide,
SCHEMBL5726725,
DTXSID00623814,
ICPVFOAWQNIBBW-UHFFFAOYSA-N,
ZINC67172201,
AKOS013400773,
NE12002,
TC-040225,
FT-0738669,
|
| Complexity | 93 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.118g/mol |
| Monoisotopic Mass | 212.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number