4-Chloro-3-fluorophenylacetic Acid - CAS 883500-51-4
Catalog: |
BB038826 |
Product Name: |
4-Chloro-3-fluorophenylacetic Acid |
CAS: |
883500-51-4 |
Synonyms: |
2-(4-chloro-3-fluorophenyl)acetic acid; 2-(4-chloro-3-fluorophenyl)acetic acid |
IUPAC Name: | 2-(4-chloro-3-fluorophenyl)acetic acid |
Description: | 4-Chloro-3-fluorophenylacetic Acid (CAS# 883500-51-4) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)F)Cl |
InChI: | InChI=1S/C8H6ClFO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | QIYNMJFDEWFEKJ-UHFFFAOYSA-N |
LogP: | 2.10620 |
GHS Hazard Statement: | H315 (100%): 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 |
WO-2021188936-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
KR-20200022710-A | Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel | 20180823 |
KR-102183666-B1 | Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel | 20180823 |
WO-2019113419-A1 | Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation | 20171208 |
US-11091497-B2 | Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation | 20171208 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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