5-(4-Chlorophenyl)oxazole-2-propionic acid - CAS 23464-95-1
Catalog: |
BB018068 |
Product Name: |
5-(4-Chlorophenyl)oxazole-2-propionic acid |
CAS: |
23464-95-1 |
Synonyms: |
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoic acid |
IUPAC Name: | 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoic acid |
Description: | 5-(4-Chlorophenyl)oxazole-2-propionic acid (CAS# 23464-95-1) is a useful research chemical. |
Molecular Weight: | 251.67 |
Molecular Formula: | C12H10ClNO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)O)Cl |
InChI: | InChI=1S/C12H10ClNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
InChI Key: | XKDNEJYXLSVRMO-UHFFFAOYSA-N |
Boiling Point: | 437.5 °C at 760 mmHg |
Density: | 1.348 g/cm3 |
Appearance: | White to yellow to tan powder or crystals |
MDL: | MFCD07784409 |
LogP: | 3.01220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021062030-A1 | Diterpenoid compounds that act on protein kinase c (pkc) | 20190924 |
US-2020149034-A1 | Methods and Compositions for Synthesis of Encoded Libraries | 20170317 |
US-2016310528-A1 | Castration-Resistant Prostate Cancer | 20150423 |
WO-2016172545-A1 | Castration-resistant prostate cancer | 20150423 |
US-2015321164-A1 | Method for synthesizing and screening lead compound and reagent testing kit | 20121220 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0349209 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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