3-(2-Fluorophenyl)propionic acid - CAS 1643-26-1
Catalog: |
BB012096 |
Product Name: |
3-(2-Fluorophenyl)propionic acid |
CAS: |
1643-26-1 |
Synonyms: |
3-(2-fluorophenyl)propanoic acid |
IUPAC Name: | 3-(2-fluorophenyl)propanoic acid |
Description: | 3-(2-Fluorophenyl)propionic acid (CAS# 1643-26-1) is a useful research chemical. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CCC(=O)O)F |
InChI: | InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
InChI Key: | GUZLQEOSDXLCKX-UHFFFAOYSA-N |
Boiling Point: | 273.7 °C at 760 mmHg |
Melting Point: | 74-78 °C |
Purity: | 95 % |
MDL: | MFCD01310820 |
LogP: | 1.84290 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679336-A | Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal | 20201229 |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
CN-111777477-A | Method for synthesizing succinic acid derivative or 3-aryl propionic acid | 20191025 |
CN-111777477-B | Method for synthesizing succinic acid derivative or 3-aryl propionic acid | 20191025 |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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