4-(3-Fluorophenyl)butanoic Acid - CAS 70631-88-8
Catalog: |
BB034201 |
Product Name: |
4-(3-Fluorophenyl)butanoic Acid |
CAS: |
70631-88-8 |
Synonyms: |
4-(3-fluorophenyl)butanoic acid; 4-(3-fluorophenyl)butanoic acid |
IUPAC Name: | 4-(3-fluorophenyl)butanoic acid |
Description: | 4-(3-Fluorophenyl)butanoic Acid (CAS# 70631-88-8 ) is a useful research chemical. |
Molecular Weight: | 182.19 |
Molecular Formula: | C10H11FO2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)CCCC(=O)O |
InChI: | InChI=1S/C10H11FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13) |
InChI Key: | SFUDEIQDDYJRKV-UHFFFAOYSA-N |
LogP: | 2.23300 |
Publication Number | Title | Priority Date |
WO-2018165575-A2 | Warhead-containing peptidomimetic macrocycles as modulators of bfl-1 | 20170309 |
EP-3432904-A2 | Companion diagnostic tool for peptidomimetic macrocycles | 20160321 |
WO-2017165299-A2 | Companion diagnostic tool for peptidomimetic macrocycles | 20160321 |
EP-3347372-A1 | Peptidomimetic macrocycles as modulators of mcl-1 | 20150910 |
WO-2017044633-A1 | Peptidomimetic macrocycles as modulators of mcl-1 | 20150910 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.07430775 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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