| CAS Number | 1183979-76-1 |
| Catalog Number | AG01C5JC |
| Chemical Name | 2-(3,5-dimethylphenoxy)-6-fluoroaniline |
| IUPAC Name | 2-(3,5-dimethylphenoxy)-6-fluoroaniline |
| InChI | InChI=1S/C14H14FNO/c1-9-6-10(2)8-11(7-9)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3 |
| InChI Key | XWQZUKJEAHZYRW-UHFFFAOYSA-N |
| MDL Number | MFCD12720047 |
| Molecular Formula | C14H14FNO |
| Molecular Weight | 231.2655 |
| SMILES | CC1=CC(OC2=C(N)C(F)=CC=C2)=CC(C)=C1 |
| Synonyms | 2-(3,5-dimethylphenoxy)-6-fluoroaniline,
1183979-76-1,
ZINC37420051,
AKOS010004089,
Z2465620137,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.27g/mol |
| Monoisotopic Mass | 231.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number