Home Carboxys 1-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

1-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS No.:
1152815-38-7
Catalog Number:
AG01A4G0
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
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Product Description
Catalog Number:
AG01A4G0
Chemical Name:
1-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
CAS Number:
1152815-38-7
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD11544059
IUPAC Name:
1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-4-9(7)16-6-5-8(15-16)10(17)18/h1-6H,(H,17,18)
InChI Key:
HIKJYXSEXJVTDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)c1ccccc1C(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:
2.6  
Properties