| CAS Number | 1019111-09-1 |
| Catalog Number | AG01AJNK |
| Chemical Name | 2-[(3-chlorophenyl)methoxy]aniline |
| IUPAC Name | 2-[(3-chlorophenyl)methoxy]aniline |
| InChI | InChI=1S/C13H12ClNO/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8H,9,15H2 |
| InChI Key | YWWWODHBYGJPAW-UHFFFAOYSA-N |
| MDL Number | MFCD09803910 |
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.6935 |
| SMILES | NC1=C(OCC2=CC(Cl)=CC=C2)C=CC=C1 |
| Synonyms | 2-[(3-CHLOROPHENYL)METHOXY]ANILINE,
1019111-09-1,
CTK6H2598,
ZINC19266851,
AKOS000154212,
NE14469,
EN300-81486,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.695g/mol |
| Monoisotopic Mass | 233.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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