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Home Carboxys 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
481065-92-3
Catalog Number:
AG00DL47
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
10g
95%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG00DL47
Chemical Name:
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
481065-92-3
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD03074319
IUPAC Name:
1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)
InChI Key:
QMIUBFUPVMQMRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C(F)(F)F)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties