4-(3-Fluoro-4-methylanilino)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(3-Fluoro-4-methylanilino)-4-oxobutanoic acid
• CAS No.: 282542-06-7
• Molecular Formula: C11H12FNO3
• Molecular Weight: 225.22
• DSSTox Substance ID: DTXSID601216240
• ChEMBL ID: CHEMBL1431266
• Mol file: 282542-06-7.mol

Synonyms:4-(3-fluoro-4-methylanilino)-4-oxobutanoic acid;282542-06-7;4-[(3-fluoro-4-methylphenyl)amino]-4-oxobutanoic acid;3-[(3-fluoro-4-methylphenyl)carbamoyl]propanoic acid;4-((3-Fluoro-4-methylphenyl)amino)-4-oxobutanoic acid;SMR000069419;CBKinase1_000005;CBKinase1_012405;Cambridge id 5320195;Oprea1_096814;Oprea1_184597;MLS000058850;CHEMBL1431266;CCG-392;DTXSID601216240;HMS2455H14;MFCD00977810;STK036215;AKOS000483493;JS-1983;CS-0328142;AB00080575-01;AN-329/11450243;SR-01000405836;3-[(3-fluoro-4-methylphenyl)carbamoyl]propanoicacid;SR-01000405836-1;BRD-K84621044-001-01-3

Chemical Property of 4-(3-Fluoro-4-methylanilino)-4-oxobutanoic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 225.08012141
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

4-(3-Fluoro-4-methylanilino)-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)F