1-(3-Fluoro-5-methylphenyl)cyclobutanecarboxylic Acid - CAS 1314713-36-4
Catalog: |
BB007380 |
Product Name: |
1-(3-Fluoro-5-methylphenyl)cyclobutanecarboxylic Acid |
CAS: |
1314713-36-4 |
Synonyms: |
1-(3-fluoro-5-methylphenyl)-1-cyclobutanecarboxylic acid; 1-(3-fluoro-5-methylphenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(3-fluoro-5-methylphenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(3-Fluoro-5-methylphenyl)cyclobutanecarboxylic Acid (CAS# 1314713-36-4 ) is a useful research chemical. |
Molecular Weight: | 208.23 |
Molecular Formula: | C12H13FO2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C2(CCC2)C(=O)O)F |
InChI: | InChI=1S/C12H13FO2/c1-8-5-9(7-10(13)6-8)12(11(14)15)3-2-4-12/h5-7H,2-4H2,1H3,(H,14,15) |
InChI Key: | NELHTZSXAAUBNY-UHFFFAOYSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08995782 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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