| CAS Number | 899821-28-4 |
| Catalog Number | AG00IFXD |
| Chemical Name | 2-Chloro-4-fluoro-3-iodobenzonitrile |
| IUPAC Name | 2-chloro-4-fluoro-3-iodobenzonitrile |
| InChI | InChI=1S/C7H2ClFIN/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H |
| InChI Key | DAKOVCWDJHXVTB-UHFFFAOYSA-N |
| MDL Number | MFCD30180182 |
| Molecular Formula | C7H2ClFIN |
| Molecular Weight | 281.4534 |
| SMILES | N#Cc1ccc(c(c1Cl)I)F |
| Synonyms | 2-chloro-4-fluoro-3-iodobenzonitrile,
899821-28-4,
SCHEMBL4478973,
DAKOVCWDJHXVTB-UHFFFAOYSA-N,
2-Chloro-4-fluoro-3-iodo-benzonitrile,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.453g/mol |
| Monoisotopic Mass | 280.89g/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