| CAS Number | 566926-05-4 |
| Catalog Number | AG01B1I4(AGN-PC-0DLTOI) |
| Chemical Name | N-[(4-bromophenyl)methyl]-2-cyanoacetamide |
| IUPAC Name | N-[(4-bromophenyl)methyl]-2-cyanoacetamide |
| InChI | InChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14) |
| InChI Key | LMJXGMLFBKFUFC-UHFFFAOYSA-N |
| MDL Number | MFCD11039141 |
| Molecular Formula | C10H9BrN2O |
| Molecular Weight | 253.0953 |
| SMILES | BrC1=CC=C(CNC(CC#N)=O)C=C1 |
| Synonyms | N-[(4-bromophenyl)methyl]-2-cyanoacetamide,
566926-05-4,
SCHEMBL12389322,
N-(4-Bromobenzyl)-2-cyanoacetamide,
ZINC42238423,
AKOS009167277,
NE57916,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.099g/mol |
| Monoisotopic Mass | 251.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number