Methyl 4-(4-Fluoro-3-methylphenyl)butanoate - CAS 143655-54-3
Catalog: |
BB009642 |
Product Name: |
Methyl 4-(4-Fluoro-3-methylphenyl)butanoate |
CAS: |
143655-54-3 |
Synonyms: |
4-(4-fluoro-3-methylphenyl)butanoic acid methyl ester; methyl 4-(4-fluoro-3-methylphenyl)butanoate |
IUPAC Name: | methyl 4-(4-fluoro-3-methylphenyl)butanoate |
Description: | Methyl 4-(4-Fluoro-3-methylphenyl)butanoate (CAS# 143655-54-3 ) is a useful research chemical. |
Molecular Weight: | 210.24 |
Molecular Formula: | C12H15FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)CCCC(=O)OC)F |
InChI: | InChI=1S/C12H15FO2/c1-9-8-10(6-7-11(9)13)4-3-5-12(14)15-2/h6-8H,3-5H2,1-2H3 |
InChI Key: | VRKPJAZGIDPBBP-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
JP-3359955-B2 | Antitumor agent | 19920716 |
JP-H0687746-A | Antitumor agent | 19920716 |
AU-640549-B2 | Hexa-cyclic compound | 19910116 |
EP-0495432-A1 | Hexa-cyclic compound | 19910116 |
EP-0495432-B1 | Hexa-cyclic compound | 19910116 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.10560788 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.10560788 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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