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Home Halogens 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-hydroxy-1H-pyrazole-3-carboxylic acid

1-[4-chloro-2-(trifluoromethyl)phenyl]-4-hydroxy-1H-pyrazole-3-carboxylic acid

CAS No.:
1152614-40-8
Catalog Number:
AG01AGP7
Molecular Formula:
C11H6ClF3N2O3
Molecular Weight:
306.6251
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Product Description
Catalog Number:
AG01AGP7
Chemical Name:
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-hydroxy-1H-pyrazole-3-carboxylic acid
CAS Number:
1152614-40-8
Molecular Formula:
C11H6ClF3N2O3
Molecular Weight:
306.6251
MDL Number:
MFCD13650992
IUPAC Name:
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-hydroxypyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H6ClF3N2O3/c12-5-1-2-7(6(3-5)11(13,14)15)17-4-8(18)9(16-17)10(19)20/h1-4,18H,(H,19,20)
InChI Key:
BJEKZIZTGMIXDC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(F)(F)F)n1cc(c(n1)C(=O)O)O
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.002g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.625g/mol
Monoisotopic Mass:
306.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties