4-[5-(3-Nitro-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Base Information

• Chemical Name: 4-[5-(3-Nitro-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid
• CAS No.: 6128-55-8
• Molecular Formula: C17H15N3O5S
• Molecular Weight: 373.3831
• DSSTox Substance ID: DTXSID00389640
• ChEMBL ID: CHEMBL1369188
• Mol file: 6128-55-8.mol

Synonyms:6128-55-8;CBMicro_004311;Oprea1_438585;Oprea1_832720;MLS001207742;CHEMBL1369188;DTXSID00389640;HMS2846L07;SMSF0014263;AKOS016037635;CB06194;SMR000516939;BIM-0004357.P001;SR-01000358373;SR-01000358373-1;T6598778;Z847017498;4-[5-(3-Nitro-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Chemical Property of 4-[5-(3-Nitro-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Chemical Property:

• Vapor Pressure: 7.4E-15mmHg at 25°C
• Boiling Point: 591.9°Cat760mmHg
• Flash Point: 311.8°C
• Density: 1.5g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 373.07324176
• Heavy Atom Count: 26
• Complexity: 606

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]