| CAS Number | 455280-08-7 |
| Catalog Number | AG00DIL3(AGN-PC-0WBKKB) |
| Chemical Name | 3-((4-Chlorobenzyl)oxy)aniline |
| IUPAC Name | 3-[(4-chlorophenyl)methoxy]aniline |
| InChI | InChI=1S/C13H12ClNO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2 |
| InChI Key | CHDORYQMOGJXJT-UHFFFAOYSA-N |
| MDL Number | MFCD09036968 |
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.6935 |
| SMILES | NC1=CC(OCC2=CC=C(Cl)C=C2)=CC=C1 |
| Synonyms | 455280-08-7,
3-[(4-CHLOROPHENYL)METHOXY]ANILINE,
Benzenamine, 3-[(4-chlorophenyl)methoxy]-,
SCHEMBL4638746,
3-((4-Chlorobenzyl)oxy)aniline,
CTK6H0216,
ZINC9239441,
AKOS000156425,
MCULE-7254535601,
NE38682,
AJ-59418,
Benzenamine,3-[(4-chlorophenyl)methoxy]-,
DB-032414,
FT-0770116,
EN300-74194,
3-[(4-Chlorophenyl)methoxy]benzenamine,
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| Complexity | 204 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number