Home Carboxys 5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid

5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1277167-99-3
Catalog Number:
AG01BJ2Q
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
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Product Description
Catalog Number:
AG01BJ2Q
Chemical Name:
5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1277167-99-3
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
MDL Number:
MFCD14706657
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O3/c12-11(13,14)19-7-3-1-6(2-4-7)8-5-9(10(17)18)16-15-8/h1-5H,(H,15,16)(H,17,18)
InChI Key:
JTKTXXOKTAOEOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]n1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.183g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties