4-Bromo-2-ethoxy-5-fluorobenzonitrile - CAS 1423037-19-7
Catalog: |
BB071543 |
Product Name: |
4-Bromo-2-ethoxy-5-fluorobenzonitrile |
CAS: |
1423037-19-7 |
Synonyms: |
4-BROMO-2-ETHOXY-5-FLUOROBENZONITRILE; Benzonitrile, 4-bromo-2-ethoxy-5-fluoro- |
IUPAC Name: | 4-bromo-2-ethoxy-5-fluorobenzonitrile |
Description: | 4-Bromo-2-ethoxy-5-fluorobenzonitrile |
Molecular Weight: | 244.06 |
Molecular Formula: | C9H7BrFNO |
Canonical SMILES: | CCOC1=CC(=C(C=C1C#N)F)Br |
InChI: | InChI=1S/C9H7BrFNO/c1-2-13-9-4-7(10)8(11)3-6(9)5-12/h3-4H,2H2,1H3 |
InChI Key: | RFQMRYFIZBEFEH-UHFFFAOYSA-N |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.9695 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.9695 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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