3-Chloro-4-iodobenzonitrile - CAS 1261686-46-7
Catalog: |
BB054740 |
Product Name: |
3-Chloro-4-iodobenzonitrile |
CAS: |
1261686-46-7 |
Synonyms: |
3-chloro-4-iodobenzonitrile |
IUPAC Name: | 3-chloro-4-iodobenzonitrile |
Molecular Weight: | 263.46 |
Molecular Formula: | C7H3ClIN |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Cl)I |
InChI: | InChI=1S/C7H3ClIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H |
InChI Key: | OUVGLBKTGXKVKS-UHFFFAOYSA-N |
Boiling Point: | 291.0±25.0 °C at 760 mmHg |
Density: | 2.0±0.1 g/cm3 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.89987 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.89987 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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