| CAS Number | 60736-79-0 |
| Catalog Number | AG01A9A3(AGN-PC-0JNGBV) |
| Chemical Name | 1-(Chloromethyl)-4-(2-methylpropyl)benzene |
| IUPAC Name | 1-(chloromethyl)-4-(2-methylpropyl)benzene |
| InChI | InChI=1S/C11H15Cl/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | RVQOLTBRWHPYTM-UHFFFAOYSA-N |
| MDL Number | MFCD11190946 |
| Molecular Formula | C11H15Cl |
| Molecular Weight | 182.6898 |
| SMILES | CC(C)CC1=CC=C(CCl)C=C1 |
| Synonyms | 1-(chloromethyl)-4-(2-methylpropyl)benzene,
60736-79-0,
1-(chloromethyl)-4-isobutylbenzene,
p-Isobutylbenzyl chloride,
4-isobutylbenzyl chloride,
AC1L48RN,
Benzene, 1-(chloromethyl)-4-(2-methylpropyl)-,
AC1Q1P92,
SCHEMBL1446710,
RVQOLTBRWHPYTM-UHFFFAOYSA-N,
ZINC49779811,
NE48582,
EN300-64557,
CID181289,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.691g/mol |
| Monoisotopic Mass | 182.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number