4-Bromo-3,5-difluorobenzonitrile - CAS 123688-59-5
Catalog: |
BB062018 |
Product Name: |
4-Bromo-3,5-difluorobenzonitrile |
CAS: |
123688-59-5 |
Synonyms: |
4-Bromo-3,5-difluorobenzonitrile; 3,5-Difluoro-4-Bromobenzonitrile; 2-bromo-5-cyano-1,3-difluorobenzene; Benzonitrile, 4-bromo-3,5-difluoro-; 4-Bromo-3,5-difluoro-Benzonitrile |
IUPAC Name: | 4-bromo-3,5-difluorobenzonitrile |
Description: | 4-Bromo-3,5-difluorobenzonitrile |
Molecular Weight: | 218 |
Molecular Formula: | C7H2BrF2N |
Canonical SMILES: | C1=C(C=C(C(=C1F)Br)F)C#N |
InChI: | InChI=1S/C7H2BrF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H |
InChI Key: | LRMUGJVHRUVMHP-UHFFFAOYSA-N |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.93387 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.93387 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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