Benzyl 3-Fluoropropanoate - CAS 115952-61-9
Catalog: |
BB003655 |
Product Name: |
Benzyl 3-Fluoropropanoate |
CAS: |
115952-61-9 |
Synonyms: |
3-fluoropropanoic acid (phenylmethyl) ester; benzyl 3-fluoropropanoate |
IUPAC Name: | benzyl 3-fluoropropanoate |
Description: | Benzyl 3-Fluoropropanoate (CAS# 115952-61-9 ) is a useful research chemical. |
Molecular Weight: | 182.19 |
Molecular Formula: | C10H11FO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CCF |
InChI: | InChI=1S/C10H11FO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
InChI Key: | WSBVWPKJUJCDIR-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.08940 |
Publication Number | Title | Priority Date |
EP-3293167-A1 | [18f]-labelled lactate derivative as pet radiotracer | 20160909 |
US-2019255002-A1 | [18f]-labelled lactate derivative as pet radiotracer | 20160909 |
US-10799470-B2 | [18F]-labelled lactate derivative as pet radiotracer | 20160909 |
US-2020405667-A1 | [18f]-labelled lactate derivative as pet radiotracer | 20160909 |
EP-3750910-A1 | Triterpenoids with hiv maturation inhibitory activity | 20140411 |
Complexity: | 153 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.07430775 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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