| CAS Number | 348640-88-0 |
| Catalog Number | AG007H6D(AGN-PC-03RW8X) |
| Chemical Name | 3-Bromo-4-(dimethylamino)benzonitrile |
| IUPAC Name | 3-bromo-4-(dimethylamino)benzonitrile |
| InChI | InChI=1S/C9H9BrN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3 |
| InChI Key | SIGWOEVSFRVEBJ-UHFFFAOYSA-N |
| MDL Number | MFCD24307485 |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.0852 |
| SMILES | CN(C1=C(Br)C=C(C#N)C=C1)C |
| Synonyms | 3-bromo-4-(dimethylamino)benzonitrile,
348640-88-0,
3-bromo-4-dimethylaminobenzonitrile,
SCHEMBL1778656,
CTK1B7398,
DTXSID10625965,
SIGWOEVSFRVEBJ-UHFFFAOYSA-N,
ZINC90563246,
AKOS021115344,
FCH5490132,
BBV-46772688,
OR400637,
Benzonitrile, 3-bromo-4-(dimethylamino)-,
AX8277264,
EN300-220177,
Z2216303504,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.089g/mol |
| Monoisotopic Mass | 223.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number