| CAS Number | 1009069-83-3 |
| Catalog Number | AG000351(AGN-PC-0WQVPH) |
| Chemical Name | 3-Bromo-N-[(4-Methoxyphenyl)Methyl]Pyridin-2-Amine |
| IUPAC Name | 3-bromo-N-[(4-methoxyphenyl)methyl]pyridin-2-amine |
| InChI | InChI=1S/C13H13BrN2O/c1-17-11-6-4-10(5-7-11)9-16-13-12(14)3-2-8-15-13/h2-8H,9H2,1H3,(H,15,16) |
| InChI Key | MVIMDOOGCSXGFK-UHFFFAOYSA-N |
| MDL Number | MFCD16382740 |
| Molecular Formula | C13H13BrN2O |
| Molecular Weight | 293.1591 |
| SMILES | COc1ccc(CNc2ncccc2Br)cc1 |
| Synonyms | 1009069-83-3,
3-bromo-N-[(4-methoxyphenyl)methyl]pyridin-2-amine,
3-Bromo-N-(4-methoxybenzyl)pyridin-2-amine,
2-Pyridinamine, 3-bromo-N-[(4-methoxyphenyl)methyl]-,
SCHEMBL6131117,
MFCD16382740,
ZINC48759121,
AKOS010630759,
CS-0036320,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.164g/mol |
| Monoisotopic Mass | 292.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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