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

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

CAS No.:
1598354-82-5
Catalog Number:
AG01DVQV
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
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Product Description
Catalog Number:
AG01DVQV
Chemical Name:
1-(2-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1598354-82-5
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
MDL Number:
MFCD31609910
IUPAC Name:
1-(2-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H9FN2O2/c1-7-6-14(13-10(7)11(15)16)9-5-3-2-4-8(9)12/h2-6H,1H3,(H,15,16)
InChI Key:
HTPZQRUDGMAGIV-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1cc(c(n1)C(=O)O)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.203g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties