| CAS Number | 286440-98-0 |
| Catalog Number | AG019V6F |
| Chemical Name | [2-(3-Chloropropoxy)ethyl]benzene |
| IUPAC Name | 2-(3-chloropropoxy)ethylbenzene |
| InChI | InChI=1S/C11H15ClO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2 |
| InChI Key | RFJWFACEKUQENW-UHFFFAOYSA-N |
| MDL Number | MFCD10695667 |
| Molecular Formula | C11H15ClO |
| Molecular Weight | 198.6892 |
| SMILES | ClCCCOCCC1=CC=CC=C1 |
| Synonyms | [2-(3-chloropropoxy)ethyl]benzene,
286440-98-0,
1-(2-(3-chloropropoxy)ethyl)benzene,
AC1Q3UOW,
SCHEMBL7239389,
CTK8F2378,
ZINC34958242,
NE14824,
DA-07336,
FT-0754081,
EN300-43878,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.69g/mol |
| Monoisotopic Mass | 198.081g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number