5-Fluoro-2-isopropoxybenzonitrile - CAS 1158506-01-4
Catalog: |
BB065188 |
Product Name: |
5-Fluoro-2-isopropoxybenzonitrile |
CAS: |
1158506-01-4 |
Synonyms: |
5-Fluoro-2-isopropoxybenzonitrile; 5-fluoro-2-propan-2-yloxybenzonitrile |
IUPAC Name: | 5-fluoro-2-propan-2-yloxybenzonitrile |
Description: | 5-Fluoro-2-isopropoxybenzonitrile |
Molecular Weight: | 179.19 |
Molecular Formula: | C10H10FNO |
Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)F)C#N |
InChI: | InChI=1S/C10H10FNO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3 |
InChI Key: | DBGKNXAEJDEUPX-UHFFFAOYSA-N |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.074642105 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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