| CAS Number | 78222-69-2 |
| Catalog Number | AG0039U6(AGN-PC-00MLYE) |
| Chemical Name | 2,4-Dibromobenzonitrile |
| IUPAC Name | 2,4-dibromobenzonitrile |
| InChI | InChI=1S/C7H3Br2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChI Key | MIQRQLRZDQTHGM-UHFFFAOYSA-N |
| MDL Number | MFCD13185491 |
| Molecular Formula | C7H3Br2N |
| Molecular Weight | 260.9134 |
| SMILES | BrC1=C(C#N)C=CC(=C1)Br |
| Synonyms | 2,4-DIBROMOBENZONITRILE,
78222-69-2,
Benzonitrile, 2,4-dibromo-,
SCHEMBL1343170,
KS-00000LJH,
MIQRQLRZDQTHGM-UHFFFAOYSA-N,
ACT14092,
MFCD13185491,
ZINC39648655,
AKOS024438775,
AB66754,
AK356827,
DS-12729,
FT-0735494,
|
| 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