5-(4-Fluorophenyl)thiophene-2-carboxylic acid - CAS 115933-30-7
Catalog: |
BB003650 |
Product Name: |
5-(4-Fluorophenyl)thiophene-2-carboxylic acid |
CAS: |
115933-30-7 |
Synonyms: |
5-(4-fluorophenyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-fluorophenyl)thiophene-2-carboxylic acid |
Description: | 5-(4-Fluorophenyl)thiophene-2-carboxylic acid (CAS# 115933-30-7) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H7FO2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)F |
InChI: | InChI=1S/C11H7FO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14) |
InChI Key: | YOFXYDVYMHOXSY-UHFFFAOYSA-N |
Boiling Point: | 389.6 °C at 760 mmHg |
Melting Point: | 250-254 °C (lit.) |
Purity: | 95 % |
Density: | 1.38 g/cm3 |
Appearance: | Off-white amorphous powder |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
MDL: | MFCD01316570 |
LogP: | 3.25240 |
GHS Hazard Statement: | H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109868132-A | A kind of particle and preparation method thereof | 20171201 |
CN-109868133-A | A kind of particle and preparation method thereof | 20171201 |
CN-109868134-A | A kind of particle and preparation method thereof | 20171201 |
CN-109868135-A | A kind of particle and preparation method thereof | 20171201 |
CN-109868139-A | A kind of particle and preparation method thereof | 20171201 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.01507880 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.01507880 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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