| CAS Number | 1365272-75-8 |
| Catalog Number | AG009X3U(AGN-PC-0WNW55) |
| Chemical Name | Benzonitrile, 2-bromo-6-(phenylamino)- |
| IUPAC Name | 2-anilino-6-bromobenzonitrile |
| InChI | InChI=1S/C13H9BrN2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8,16H |
| InChI Key | TZQRKEIZKGHNMX-UHFFFAOYSA-N |
| MDL Number | MFCD21609675 |
| Molecular Formula | C13H9BrN2 |
| Molecular Weight | 273.1280 |
| SMILES | N#Cc1c(cccc1Br)Nc1ccccc1 |
| Synonyms | 2-Bromo-6-(phenylamino)benzonitrile,
1365272-75-8,
MFCD21609675,
ZINC95495721,
V2633,
C13H9BrN2,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.133g/mol |
| Monoisotopic Mass | 271.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number