| CAS Number | 1261776-03-7 |
| Catalog Number | AG000S0L(AGN-PC-0WA68J) |
| Chemical Name | Benzonitrile, 2-bromo-4-iodo- |
| IUPAC Name | 2-bromo-4-iodobenzonitrile |
| InChI | InChI=1S/C7H3BrIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H |
| InChI Key | ALJPGCHHLIOAHE-UHFFFAOYSA-N |
| MDL Number | MFCD18391643 |
| Molecular Formula | C7H3BrIN |
| Molecular Weight | 307.9139 |
| SMILES | C1=CC(=C(C=C1I)Br)C#N |
| Synonyms | 2-bromo-4-iodobenzonitrile,
1261776-03-7,
Benzonitrile, 2-bromo-4-iodo-,
ACT14345,
ZINC95495549,
FCH1369965,
BBV-40246072,
BC005103,
OR400783,
Z9072,
C7H3BrIN,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number