4- Bromo- 3- chloro- 2- fluorobenzonitrile - CAS 1160574-68-4
Catalog: |
BB062198 |
Product Name: |
4- Bromo- 3- chloro- 2- fluorobenzonitrile |
CAS: |
1160574-68-4 |
Synonyms: |
4-Bromo-3-chloro-2-fluorobenzonitrile; Benzonitrile, 4-bromo-3-chloro-2-fluoro- |
IUPAC Name: | 4-bromo-3-chloro-2-fluorobenzonitrile |
Molecular Weight: | 234.45 |
Molecular Formula: | C7H2BrClFN |
Canonical SMILES: | C1=CC(=C(C(=C1C#N)F)Cl)Br |
InChI: | InChI=1S/C7H2BrClFN/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2H |
InChI Key: | PQFMVBRXNPGOQP-UHFFFAOYSA-N |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.90432 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.90432 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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