| CAS Number | 1239493-20-9 |
| Catalog Number | AG01EHBU |
| Chemical Name | 3-Chloro-2-iodobenzonitrile |
| IUPAC Name | 3-chloro-2-iodobenzonitrile |
| InChI | InChI=1S/C7H3ClIN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H |
| InChI Key | LRKGKRCXVFYLOP-UHFFFAOYSA-N |
| MDL Number | MFCD18249984 |
| Molecular Formula | C7H3ClIN |
| Molecular Weight | 263.4629 |
| SMILES | ClC1=C(I)C(=CC=C1)C#N |
| Synonyms | 3-CHLORO-2-IODOBENZONITRILE,
1239493-20-9,
SCHEMBL7916726,
AB72108,
N/A,
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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 | 262.9g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.462g/mol |
| Monoisotopic Mass | 262.9g/mol |
| Rotatable Bond Count | 0 |
| 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