| CAS Number | 284462-84-6 |
| Catalog Number | AG01A9L4(AGN-PC-03XJ0Q) |
| Chemical Name | 4-(4-(Methylsulfonyl)phenoxy)aniline |
| IUPAC Name | 4-(4-methylsulfonylphenoxy)aniline |
| InChI | InChI=1S/C13H13NO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,14H2,1H3 |
| InChI Key | YLPRHFLWIYEAGT-UHFFFAOYSA-N |
| MDL Number | MFCD12066129 |
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.3122 |
| SMILES | CS(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(=O)=O |
| Synonyms | 4-(4-methanesulfonylphenoxy)aniline,
284462-84-6,
AC1Q4GJO,
SCHEMBL178009,
YLPRHFLWIYEAGT-UHFFFAOYSA-N,
ZINC37369477,
4-(4-(Methylsulfonyl)phenoxy)aniline,
AKOS009989318,
MCULE-1213053017,
NE42342,
4-(4-Methanesulfonyl-phenoxy)phenylamine,
4-(4-methanesulfonylphenoxy)-phenylamine,
EN300-65382,
Z1262398402,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.311g/mol |
| Monoisotopic Mass | 263.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number