| CAS Number | 1045704-67-3 |
| Catalog Number | AG01BFWL |
| Chemical Name | 5-chloro-2-(5-methylfuran-2-yl)aniline |
| IUPAC Name | 5-chloro-2-(5-methylfuran-2-yl)aniline |
| InChI | InChI=1S/C11H10ClNO/c1-7-2-5-11(14-7)9-4-3-8(12)6-10(9)13/h2-6H,13H2,1H3 |
| InChI Key | ZFRJTVOAMGGBPX-UHFFFAOYSA-N |
| MDL Number | MFCD14623733 |
| Molecular Formula | C11H10ClNO |
| Molecular Weight | 207.6562 |
| SMILES | CC1OC(C2=C(N)C=C(Cl)C=C2)=CC=1 |
| Synonyms | 5-chloro-2-(5-methylfuran-2-yl)aniline,
1045704-67-3,
2-(4-chloro-2-aminophenyl)-5-methylfuran,
ZINC41048880,
AKOS010571640,
2-(5-Methyl-2-furanyl)-5-chloroaniline,
Z1945706184,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.657g/mol |
| Monoisotopic Mass | 207.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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