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1204297-01-7,MFCD16631642
Catalog No.:AA01AQHM
1204297-01-7 | 1-(4-Fluorophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-4-carboxylic acid
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Technical Information
Catalog Number:
AA01AQHM
Chemical Name:
1-(4-Fluorophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-4-carboxylic acid
CAS Number:
1204297-01-7
Molecular Formula:
C10H7FN2O3
Molecular Weight:
222.1726
MDL Number:
MFCD16631642
IUPAC Name:
1-(4-fluorophenyl)-5-oxo-4H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)13-9(14)8(5-12-13)10(15)16/h1-5,8H,(H,15,16)
InChI Key:
GLJNBFHEOZSYNC-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=NN(C1=O)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.175g/mol
Monoisotopic Mass:
222.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1204297-01-7 
1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-4-carboxylic acid 
1-(4-fluorophenyl)-5-oxo-4H-pyrazole-4-carboxylic acid 
AKOS015956275 
MCULE-3267879383 
SC-51569 
L-3529 
1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-4 
F2130-0187 
Literature
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