| CAS Number | 104245-83-2 |
| Catalog Number | AG01DX7W(AGN-PC-02CGG1) |
| Chemical Name | 4-(1-Chloroethyl)-1,2-dimethylbenzene |
| IUPAC Name | 4-(1-chloroethyl)-1,2-dimethylbenzene |
| InChI | InChI=1S/C10H13Cl/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,1-3H3 |
| InChI Key | MDKHOLUSBWKBSR-UHFFFAOYSA-N |
| MDL Number | MFCD11186441 |
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.6632 |
| SMILES | CC1=CC(C(Cl)C)=CC=C1C |
| Synonyms | 4-(1-chloroethyl)-1,2-dimethylbenzene,
104245-83-2,
SCHEMBL8750355,
AKOS009237169,
4-(1-chloroethyl)-1,2-dimethyl-benzene,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.664g/mol |
| Monoisotopic Mass | 168.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number