| CAS Number | 1216029-93-4 |
| Catalog Number | AG00HGAW(AGN-PC-0WNNWJ) |
| Chemical Name | 5-Bromo-2-N-(furan-2-ylmethyl)pyridine-2,3-diamine |
| IUPAC Name | 5-bromo-2-N-(furan-2-ylmethyl)pyridine-2,3-diamine |
| InChI | InChI=1S/C10H10BrN3O/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-8/h1-5H,6,12H2,(H,13,14) |
| InChI Key | WJHYENZMGYTOLH-UHFFFAOYSA-N |
| MDL Number | MFCD14543358 |
| Molecular Formula | C10H10BrN3O |
| Molecular Weight | 268.1099 |
| SMILES | Brc1cnc(c(c1)N)NCc1ccco1 |
| Synonyms | 5-bromo-2-N-(furan-2-ylmethyl)pyridine-2,3-diamine,
1216029-93-4,
MFCD14543358,
ZINC36226290,
AKOS010478388,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.114g/mol |
| Monoisotopic Mass | 267.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number