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3-(2-Fluorophenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
879996-73-3
Catalog Number:
AG008E2I
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG008E2I
Chemical Name:
3-(2-Fluorophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
879996-73-3
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
MDL Number:
MFCD07367331
IUPAC Name:
5-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7FN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChI Key:
FWGJQQSTZGBXSI-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1n[nH]cc1C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties