| CAS Number | 122947-72-2 |
| Catalog Number | AG01C5AW(AGN-PC-0O0J67) |
| Chemical Name | 4-(dibromomethyl)-3-nitrobenzonitrile |
| IUPAC Name | 4-(dibromomethyl)-3-nitrobenzonitrile |
| InChI | InChI=1S/C8H4Br2N2O2/c9-8(10)6-2-1-5(4-11)3-7(6)12(13)14/h1-3,8H |
| InChI Key | QSNWGGZLZYPJJC-UHFFFAOYSA-N |
| MDL Number | MFCD29763357 |
| Molecular Formula | C8H4Br2N2O2 |
| Molecular Weight | 319.9376 |
| SMILES | [O-][N+](C1=C(C(Br)Br)C=CC(C#N)=C1)=O |
| Synonyms | 4-(dibromomethyl)-3-nitrobenzonitrile,
122947-72-2,
ZINC196788222,
EN300-263026,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.94g/mol |
| Monoisotopic Mass | 317.864g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number