| CAS Number | 1020955-00-3 |
| Catalog Number | AG01C08H |
| Chemical Name | 3,5-dichloro-N-(2-methoxyethyl)aniline |
| IUPAC Name | 3,5-dichloro-N-(2-methoxyethyl)aniline |
| InChI | InChI=1S/C9H11Cl2NO/c1-13-3-2-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3 |
| InChI Key | SMSVBFIARKGOBX-UHFFFAOYSA-N |
| MDL Number | MFCD11152127 |
| Molecular Formula | C9H11Cl2NO |
| Molecular Weight | 220.0957 |
| SMILES | COCCNC1=CC(Cl)=CC(Cl)=C1 |
| Synonyms | 3,5-dichloro-N-(2-methoxyethyl)aniline,
1020955-00-3,
ZINC20046824,
AKOS000254945,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.093g/mol |
| Monoisotopic Mass | 219.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number