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1-(2-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
618092-40-3
Catalog Number:
AG00EGY5
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00EGY5
Chemical Name:
1-(2-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
618092-40-3
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
MDL Number:
MFCD04122761
IUPAC Name:
1-(2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H9FN2O2/c1-7-8(11(15)16)6-13-14(7)10-5-3-2-4-9(10)12/h2-6H,1H3,(H,15,16)
InChI Key:
RIJKYRZKHBKWDB-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1ncc(c1C)C(=O)O
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:
1.9  
Properties