1,2,4-Oxadiazole-5-propanoicacid, 3-(4-chlorophenyl)- supplier

Name
3-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
EINECS
CAS No. 30149-93-0
Article Data4
CAS DataBase
Density 1.404 g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClN₂O₃
Boiling Point 455.4 °C at 760 mmHg
Molecular Weight 252.657
Flash Point 229.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propionicacid;1,2,4-Oxadiazole-5-propionicacid, 3-(p-chlorophenyl)- (8CI);
PSA
LogP

1,2,4-Oxadiazole-5-propanoicacid, 3-(4-chlorophenyl)- Specification

The 1,2,4-Oxadiazole-5-propanoicacid, 3-(4-chlorophenyl)-, with the CAS registry number 30149-93-0, is also known as ZINC00058347. This chemical's molecular formula is C₁₁H₉ClN₂O₃ and molecular weight is 252.6538. Its IUPAC name is called 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate.

Physical properties of 1,2,4-Oxadiazole-5-propanoicacid, 3-(4-chlorophenyl)-: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/BCF (pH 5.5): 3.23; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 31.62; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.581; (11)Molar Refractivity: 59.96 cm³; (12)Molar Volume: 179.8 cm³; (13)Surface Tension: 58.2 dyne/cm; (14)Density: 1.404 g/cm³; (15)Flash Point: 229.2 °C; (16)Enthalpy of Vaporization: 75.36 kJ/mol; (17)Boiling Point: 455.4 °C at 760 mmHg; (18)Vapour Pressure: 4.37E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)[O-])Cl
(2)InChI: InChI=1S/C11H9ClN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)/p-1
(3)InChIKey: PZAHEYNFUFWABS-UHFFFAOYSA-M

Product Name

3-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID

1,2,4-Oxadiazole-5-propanoicacid, 3-(4-chlorophenyl)- Specification

Related Products

Hot Products