| CAS Number | 1261517-16-1 |
| Catalog Number | AG000RTC(AGN-PC-0WR21F) |
| Chemical Name | 2-Bromo-5-iodophenylacetonitrile |
| IUPAC Name | 2-(2-bromo-5-iodophenyl)acetonitrile |
| InChI | InChI=1S/C8H5BrIN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2 |
| InChI Key | AQDIWSKWPCISPD-UHFFFAOYSA-N |
| MDL Number | MFCD18391771 |
| Molecular Formula | C8H5BrIN |
| Molecular Weight | 321.9405 |
| SMILES | BrC1=C(CC#N)C=C(I)C=C1 |
| Synonyms | 2-Bromo-5-iodophenylacetonitrile,
2-(2-Bromo-5-iodophenyl)acetonitrile,
1261517-16-1,
SCHEMBL15270779,
AQDIWSKWPCISPD-UHFFFAOYSA-N,
(2-bromo-5-iodophenyl)acetonitrile,
MFCD18391771,
ZINC98210858,
Benzeneacetonitrile, 2-bromo-5-iodo-,
FCH1370076,
OR400041,
PS-11723,
AS-813/43501550,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.943g/mol |
| Monoisotopic Mass | 320.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number