| CAS Number | 848482-82-6 |
| Catalog Number | AG019EOK(AGN-PC-01N6FQ) |
| Chemical Name | 3-Chloro-4-[(6-methylpyridin-3-yl)oxy]aniline |
| IUPAC Name | 3-chloro-4-(6-methylpyridin-3-yl)oxyaniline |
| InChI | InChI=1S/C12H11ClN2O/c1-8-2-4-10(7-15-8)16-12-5-3-9(14)6-11(12)13/h2-7H,14H2,1H3 |
| InChI Key | LDXYUHNQQUNJMY-UHFFFAOYSA-N |
| MDL Number | MFCD12973649 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | NC1=CC=C(OC2=CC=C(C)N=C2)C(Cl)=C1 |
| Synonyms | 848482-82-6,
3-chloro-4-((6-methylpyridin-3-yl)oxy)aniline,
3-Chloro-4-[(6-methyl-3-pyridyl)oxy]aniline,
3-chloro-4-[(6-methylpyridin-3-yl)oxy]aniline,
3-chloro-4-(6-methyl-pyridin-3-yloxy)-phenylamine,
SCHEMBL159190,
LDXYUHNQQUNJMY-UHFFFAOYSA-N,
MFCD12973649,
ZINC44124244,
AKOS011352328,
CS-0059966,
3-CHLORO-4-[(6-METHYL-3-PYRIDINYL)OXY]ANILINE,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number