Home Carboxys 1-(3,4,5-trifluorophenyl)-1H-pyrazole-3-carboxylic acid

1-(3,4,5-trifluorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1464803-79-9
Catalog Number:
AG01DVBZ
Molecular Formula:
C10H5F3N2O2
Molecular Weight:
242.1541
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Product Description
Catalog Number:
AG01DVBZ
Chemical Name:
1-(3,4,5-trifluorophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1464803-79-9
Molecular Formula:
C10H5F3N2O2
Molecular Weight:
242.1541
MDL Number:
MFCD17588877
IUPAC Name:
1-(3,4,5-trifluorophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H5F3N2O2/c11-6-3-5(4-7(12)9(6)13)15-2-1-8(14-15)10(16)17/h1-4H,(H,16,17)
InChI Key:
DAQZQDJZFNXVTO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.03g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.157g/mol
Monoisotopic Mass:
242.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties