| CAS Number | 189634-99-9 |
| Catalog Number | AG00I2SE(AGN-PC-0O5ZGN) |
| Chemical Name | N-(4-Bromo-2-cyanophenyl)acetamide |
| IUPAC Name | N-(4-bromo-2-cyanophenyl)acetamide |
| InChI | InChI=1S/C9H7BrN2O/c1-6(13)12-9-3-2-8(10)4-7(9)5-11/h2-4H,1H3,(H,12,13) |
| InChI Key | AKKVVIWCXVGLLF-UHFFFAOYSA-N |
| MDL Number | MFCD24287087 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | N#Cc1cc(Br)ccc1NC(=O)C |
| Synonyms | N-(4-Bromo-2-cyanophenyl)acetamide,
189634-99-9,
AKOS021026485,
ZINC132728008,
Acetamide, N-(4-bromo-2-cyanophenyl)-,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number