Home Other Building Blocks 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

CAS No.:
1394041-90-7
Catalog Number:
AG019ZZ4
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
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Product Description
Catalog Number:
AG019ZZ4
Chemical Name:
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid
CAS Number:
1394041-90-7
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD19396187
IUPAC Name:
3-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)9-4-5-16(15-9)8-3-1-2-7(6-8)10(17)18/h1-6H,(H,17,18)
InChI Key:
VWSHMDJRQAOWGN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1ccc(n1)C(F)(F)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties