| CAS Number | 549547-88-8 |
| Catalog Number | AG01DNH8(AGN-PC-009BGK) |
| Chemical Name | Benzonitrile, 5-chloro-2-iodo- |
| IUPAC Name | 5-chloro-2-iodobenzonitrile |
| InChI | InChI=1S/C7H3ClIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| InChI Key | JNVZEQIFNGDCMH-UHFFFAOYSA-N |
| MDL Number | MFCD09025675 |
| Molecular Formula | C7H3ClIN |
| Molecular Weight | 263.4629 |
| SMILES | ClC=1C=CC(=C(C#N)C1)I |
| Synonyms | 5-Chloro-2-iodobenzonitrile,
549547-88-8,
Benzonitrile, 5-chloro-2-iodo-,
2-Iodo-5-chlorobenzonitrile,
SCHEMBL938654,
CTK1E2851,
DTXSID80466246,
MFCD09025675,
ZINC15443803,
AKOS027322934,
SC-51621,
Z1999,
C7H3ClIN,
5-chloro-2-iodo-benzonitrile,
CID11448436,
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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