| CAS Number | 946743-01-7 |
| Catalog Number | AG01DOJT(AGN-PC-0WBVXE) |
| Chemical Name | 4-(4-Chlorophenoxy)-2-methylaniline |
| IUPAC Name | 4-(4-chlorophenoxy)-2-methylaniline |
| InChI | InChI=1S/C13H12ClNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3 |
| InChI Key | KYZMHOKELOMGHH-UHFFFAOYSA-N |
| MDL Number | MFCD08687440 |
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.6935 |
| SMILES | c1(ccc(c(c1)C)N)Oc1ccc(cc1)Cl |
| Synonyms | 4-(4-CHLOROPHENOXY)-2-METHYLANILINE,
946743-01-7,
4-(4-chlorophenoxy)-2-methylBenzenamine,
SCHEMBL5903678,
CTK6H0719,
4119AF,
ZINC14630858,
AKOS005264887,
SC-57390,
TR-047002,
FT-0751257,
A1-03476,
BENZENAMINE,4-(4-CHLOROPHENOXY)-2-METHYL-,
C13H12ClNO,
|
| Complexity | 216 |
| 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 | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number