| CAS Number | 91713-54-1 |
| Catalog Number | AG00GU47(AGN-PC-00MG05) |
| Chemical Name | (2-Amino-5-Methoxyphenyl)(4-Chlorophenyl)Methanone |
| IUPAC Name | (2-amino-5-methoxyphenyl)-(4-chlorophenyl)methanone |
| InChI | InChI=1S/C14H12ClNO2/c1-18-11-6-7-13(16)12(8-11)14(17)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3 |
| InChI Key | MIQUXYBYLZSOIJ-UHFFFAOYSA-N |
| MDL Number | MFCD20568256 |
| Molecular Formula | C14H12ClNO2 |
| Molecular Weight | 261.7036 |
| SMILES | COc1ccc(N)c(c1)C(=O)c2ccc(Cl)cc2 |
| Synonyms | (2-amino-5-methoxyphenyl)(4-chlorophenyl)methanone,
91713-54-1,
Methanone, (2-amino-5-methoxyphenyl)(4-chlorophenyl)-,
2-(4-chlorobenzoyl)-4-methoxyaniline,
SCHEMBL1820102,
MIQUXYBYLZSOIJ-UHFFFAOYSA-N,
CS-M2015,
MFCD20568256,
ZINC79871093,
AKOS013746248,
CS-14539,
Methanone,(2-aMino-5-Methoxyphenyl)(4-chlorophenyl)-,
[2-amino-5-(methyloxy)phenyl](4-chlorophenyl)methanone,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.705g/mol |
| Monoisotopic Mass | 261.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number