| CAS Number | 1249690-86-5 |
| Catalog Number | AG00HHV1 |
| Chemical Name | 5-(3-Chloro-4-methoxyphenyl)pyridin-2-amine |
| IUPAC Name | 5-(3-chloro-4-methoxyphenyl)pyridin-2-amine |
| InChI | InChI=1S/C12H11ClN2O/c1-16-11-4-2-8(6-10(11)13)9-3-5-12(14)15-7-9/h2-7H,1H3,(H2,14,15) |
| InChI Key | MXVMJGDILOLAHZ-UHFFFAOYSA-N |
| MDL Number | MFCD16778820 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | COC1=C(Cl)C=C(C2=CN=C(N)C=C2)C=C1 |
| Synonyms | 5-(3-chloro-4-methoxyphenyl)pyridin-2-amine,
1249690-86-5,
SCHEMBL17027854,
MFCD16778820,
ZINC52886423,
AKOS011781071,
|
| 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 |
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Certificate of Analysis
Lot Number