Home Carboxys 1-(2-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid

1-(2-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid

CAS No.:
1152602-04-4
Catalog Number:
AG01A7SM
Molecular Formula:
C10H7FN2O3
Molecular Weight:
222.1726
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Product Description
Catalog Number:
AG01A7SM
Chemical Name:
1-(2-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid
CAS Number:
1152602-04-4
Molecular Formula:
C10H7FN2O3
Molecular Weight:
222.1726
MDL Number:
MFCD11133585
IUPAC Name:
1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7FN2O3/c11-6-3-1-2-4-7(6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChI Key:
LMPBFXBZBGSBLT-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1cc(c(n1)C(=O)O)O
Properties
Complexity:
277  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
222.175g/mol
Monoisotopic Mass:
222.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties