4-Bromo-3-iodobenzonitrile - CAS 1006715-27-0
Catalog: |
BB055290 |
Product Name: |
4-Bromo-3-iodobenzonitrile |
CAS: |
1006715-27-0 |
Synonyms: |
4-Bromo-3-iodobenzonitrile |
IUPAC Name: | 4-bromo-3-iodobenzonitrile |
Molecular Weight: | 307.91 |
Molecular Formula: | C7H3BrIN |
Canonical SMILES: | C1=CC(=C(C=C1C#N)I)Br |
InChI: | InChI=1S/C7H3BrIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
InChI Key: | DJJFGIFVKLWDFS-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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