| CAS Number | 1019110-00-9 |
| Catalog Number | AG01AAAB |
| Chemical Name | 4-[(3-Chlorophenyl)methoxy]-2-methylaniline |
| IUPAC Name | 4-[(3-chlorophenyl)methoxy]-2-methylaniline |
| InChI | InChI=1S/C14H14ClNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3 |
| InChI Key | ACHNGEZHCYUMPU-UHFFFAOYSA-N |
| MDL Number | MFCD09808863 |
| Molecular Formula | C14H14ClNO |
| Molecular Weight | 247.7201 |
| SMILES | CC1=C(N)C=CC(OCC2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 4-[(3-chlorophenyl)methoxy]-2-methylaniline,
1019110-00-9,
CTK6H2591,
ZINC19400201,
AKOS000161600,
MCULE-4653678434,
NE20168,
EN300-67632,
Z933445634,
AC1Q2FKU,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.076392g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.72g/mol |
| Monoisotopic Mass | 247.076392g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number