2-Fluoro-4-(4-methoxyphenyl)benzonitrile - CAS 123864-93-7
Catalog: |
BB056141 |
Product Name: |
2-Fluoro-4-(4-methoxyphenyl)benzonitrile |
CAS: |
123864-93-7 |
Synonyms: |
2-fluoro-4-(4-methoxyphenyl)benzonitrile; 3-Fluoro-4'-methoxy[1,1'-biphenyl]-4-carbonitrile; 3-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carbonitrile; 4-Cyano-3-fluoro-4'-methoxybiphenyl |
IUPAC Name: | 2-fluoro-4-(4-methoxyphenyl)benzonitrile |
Description: | 2-Fluoro-4-(4-methoxyphenyl)benzonitrile |
Molecular Weight: | 227.23 |
Molecular Formula: | C14H10FNO |
Canonical SMILES: | COC1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)F |
InChI: | InChI=1S/C14H10FNO/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3 |
InChI Key: | CBUDFMDIMMTHQP-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.074642105 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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