Home Other Building Blocks 2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:
926249-83-4
Catalog Number:
AG019UHO
Molecular Formula:
C13H13FN2O2
Molecular Weight:
248.2529
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Product Description
Catalog Number:
AG019UHO
Chemical Name:
2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CAS Number:
926249-83-4
Molecular Formula:
C13H13FN2O2
Molecular Weight:
248.2529
MDL Number:
MFCD09043802
IUPAC Name:
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
InChI:
InChI=1S/C13H13FN2O2/c1-8-12(7-13(17)18)9(2)16(15-8)11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,17,18)
InChI Key:
TYGSEAARXZYDNY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nn(c1C)c1ccc(cc1)F
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.257g/mol
Monoisotopic Mass:
248.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties