Home Carboxys 5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
317806-51-2
Catalog Number:
AG007IG9
Molecular Formula:
C6H6F3N3O2
Molecular Weight:
209.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG007IG9
Chemical Name:
5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
317806-51-2
Molecular Formula:
C6H6F3N3O2
Molecular Weight:
209.1259
MDL Number:
MFCD12827717
IUPAC Name:
5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H6F3N3O2/c1-12-4(10)2(5(13)14)3(11-12)6(7,8)9/h10H2,1H3,(H,13,14)
InChI Key:
RELBWNKENZUWTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)n(nc1C(F)(F)F)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.128g/mol
Monoisotopic Mass:
209.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties