| CAS Number | 103590-10-9 |
| Catalog Number | AG003Q1R(AGN-PC-0WAD24) |
| Chemical Name | Ethyl 2-(5-bromopyridin-2-ylidene)-2-cyanoacetate |
| IUPAC Name | ethyl 2-(5-bromo-1H-pyridin-2-ylidene)-2-cyanoacetate |
| InChI | InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8(5-12)9-4-3-7(11)6-13-9/h3-4,6,13H,2H2,1H3 |
| InChI Key | BYOLLNBSJYJESH-UHFFFAOYSA-N |
| MDL Number | MFCD00559709 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | CCOC(=O)/C(=C1/NC=C(C=C1)Br)/C#N |
| Synonyms | 103590-10-9,
Ethyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate,
ETHYL 2-(5-BROMOPYRIDIN-2-YLIDENE)-2-CYANOACETATE,
CTK4A2208,
ACMC-209888,
ANW-14934,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number