2-Bromo-6-iodobenzonitrile - CAS 1245648-93-4
Catalog: |
BB071932 |
Product Name: |
2-Bromo-6-iodobenzonitrile |
CAS: |
1245648-93-4 |
Synonyms: |
2-Bromo-6-iodobenzonitrile; Benzonitrile, 2-bromo-6-iodo-; 2-Bromo-6-iodo-benzonitrile |
IUPAC Name: | 2-bromo-6-iodobenzonitrile |
Description: | 2-Bromo-6-iodobenzonitrile |
Molecular Weight: | 307.91 |
Molecular Formula: | C7H3BrIN |
Canonical SMILES: | C1=CC(=C(C(=C1)I)C#N)Br |
InChI: | InChI=1S/C7H3BrIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
InChI Key: | LXIBANSYVFWOAR-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.84936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.84936 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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