4-Fluoro-δ-(4-fluorophenyl)benzenebutanol - CAS 50337-85-4
Catalog: |
BB065219 |
Product Name: |
4-Fluoro-δ-(4-fluorophenyl)benzenebutanol |
CAS: |
50337-85-4 |
Synonyms: |
4,4-Bis(4-fluorophenyl)butan-1-ol; 4,4-Bis(4-fluorophenyl)butanol; 4,4-Bis(4-fluorophenyl)-1-butanol |
IUPAC Name: | 4,4-bis(4-fluorophenyl)butan-1-ol |
Molecular Weight: | 262.29 |
Molecular Formula: | C16H16F2O |
Canonical SMILES: | C1=CC(=CC=C1C(CCCO)C2=CC=C(C=C2)F)F |
InChI: | InChI=1S/C16H16F2O/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16,19H,1-2,11H2 |
InChI Key: | BMPMPXFWCYAFJO-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.11692145 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.11692145 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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