| CAS Number | 1039334-55-8 |
| Catalog Number | AG019X7C |
| Chemical Name | 4-(2,4-Dichlorophenoxy)-3-fluoroaniline |
| IUPAC Name | 4-(2,4-dichlorophenoxy)-3-fluoroaniline |
| InChI | InChI=1S/C12H8Cl2FNO/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6H,16H2 |
| InChI Key | ATSXMWISGAYPBK-UHFFFAOYSA-N |
| MDL Number | MFCD11193299 |
| Molecular Formula | C12H8Cl2FNO |
| Molecular Weight | 272.1024 |
| SMILES | NC1=CC(F)=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 |
| Synonyms | 4-(2,4-dichlorophenoxy)-3-fluoroaniline,
1039334-55-8,
AC1Q51OS,
CTK7D6742,
ZINC20474910,
AKOS008118482,
MCULE-9314450296,
NE15098,
EN300-54255,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.1g/mol |
| Monoisotopic Mass | 270.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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