| CAS Number | 1006715-27-0 |
| Catalog Number | AG0095FF(AGN-PC-0WP1OT) |
| Chemical Name | Benzonitrile, 4-bromo-3-iodo- |
| IUPAC Name | 4-bromo-3-iodobenzonitrile |
| InChI | InChI=1S/C7H3BrIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
| InChI Key | DJJFGIFVKLWDFS-UHFFFAOYSA-N |
| MDL Number | MFCD18391645 |
| Molecular Formula | C7H3BrIN |
| Molecular Weight | 307.9139 |
| SMILES | C(#N)c1cc(I)c(cc1)Br |
| Synonyms | 4-Bromo-3-iodobenzonitrile,
1006715-27-0,
DTXSID00719185,
ZINC71793120,
FCH1369967,
BBV-40246074,
OR400457,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.916g/mol |
| Monoisotopic Mass | 306.849g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number