4-Bromo-1,3-benzenediarbonitrile - CAS 22433-89-2
Catalog: |
BB061886 |
Product Name: |
4-Bromo-1,3-benzenediarbonitrile |
CAS: |
22433-89-2 |
Synonyms: |
4-Bromoisophthalonitrile; 4-bromobenzene-1,3-dicarbonitrile; 4-Bromo-1,3-benzenedicarbonitrile; 1,3-Benzenedicarbonitrile, 4-bromo-; Isophothalonitrile, 4-bromo- |
IUPAC Name: | 4-bromobenzene-1,3-dicarbonitrile |
Molecular Weight: | 207.03 |
Molecular Formula: | C8H3BrN2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)C#N)Br |
InChI: | InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H |
InChI Key: | WQMGDEDMARMXQE-UHFFFAOYSA-N |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.94796 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.94796 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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