2-(4-Fluorophenyl)-2-methylpropanenitrile - CAS 93748-09-5
Catalog: |
BB064728 |
Product Name: |
2-(4-Fluorophenyl)-2-methylpropanenitrile |
CAS: |
93748-09-5 |
Synonyms: |
2-(4-fluorophenyl)-2-methylpropanenitrile; 2-(4-fluorophenyl)-2-methylpropionitrile |
IUPAC Name: | 2-(4-fluorophenyl)-2-methylpropanenitrile |
Description: | 2-(4-Fluorophenyl)-2-methylpropanenitrile |
Molecular Weight: | 163.19 |
Molecular Formula: | C10H10FN |
Canonical SMILES: | CC(C)(C#N)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C10H10FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3 |
InChI Key: | UOEIWAZNZTXYSC-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.079727485 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.079727485 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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