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Home Carboxys 1-(2-Methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

1-(2-Methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
618070-64-7
Catalog Number:
AG00EH53
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$375
- +
1g
95%
In Stock USA
United States
$1013
- +
5g
95%
In Stock USA
United States
$2925
- +
10g
95%
In Stock USA
United States
$4338
- +
Product Description
Catalog Number:
AG00EH53
Chemical Name:
1-(2-Methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
618070-64-7
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
MDL Number:
MFCD03934810
IUPAC Name:
1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H9F3N2O3/c1-20-9-5-3-2-4-8(9)17-10(12(13,14)15)7(6-16-17)11(18)19/h2-6H,1H3,(H,18,19)
InChI Key:
KPUUIGGXHBRGDJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc(c1C(F)(F)F)C(=O)O
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.21g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties