| CAS Number | 188984-35-2 |
| Catalog Number | AG00AD3L(AGN-PC-02P6NO) |
| Chemical Name | 3,4-Dibromobenzonitrile |
| IUPAC Name | 3,4-dibromobenzonitrile |
| InChI | InChI=1S/C7H3Br2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
| InChI Key | WODPYGNFQNGQJU-UHFFFAOYSA-N |
| MDL Number | MFCD09800818 |
| Molecular Formula | C7H3Br2N |
| Molecular Weight | 260.9134 |
| SMILES | BrC=1C=C(C#N)C=CC1Br |
| Synonyms | 3,4-Dibromobenzonitrile,
188984-35-2,
SCHEMBL11017920,
DTXSID40604420,
MFCD09800818,
ZINC15443847,
FCH1393442,
FS-4362,
ACM188984352,
BBV-40269549,
FT-0740173,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.861g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.916g/mol |
| Monoisotopic Mass | 258.863g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number