| CAS Number | 1343729-71-4 |
| Catalog Number | AG01A5KN |
| Chemical Name | 2-bromo-N-(3-ethynylphenyl)acetamide |
| IUPAC Name | 2-bromo-N-(3-ethynylphenyl)acetamide |
| InChI | InChI=1S/C10H8BrNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h1,3-6H,7H2,(H,12,13) |
| InChI Key | SDYFXLKHSLLUAK-UHFFFAOYSA-N |
| MDL Number | MFCD18855503 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | BrCC(NC1=CC(C#C)=CC=C1)=O |
| Synonyms | 2-bromo-N-(3-ethynylphenyl)acetamide,
1343729-71-4,
ZINC82506127,
AKOS012991057,
FCH4644865,
NE52840,
BBV-37724802,
EN300-129215,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number