Home Carboxys 5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid

5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid

CAS No.:
862112-25-2
Catalog Number:
AG00IDYJ
Molecular Formula:
C4H2F3N3O2
Molecular Weight:
181.0728
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$425
- +
1g
96%
In Stock USA
United States
$1075
- +
Product Description
Catalog Number:
AG00IDYJ
Chemical Name:
5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
CAS Number:
862112-25-2
Molecular Formula:
C4H2F3N3O2
Molecular Weight:
181.0728
MDL Number:
MFCD20658941
IUPAC Name:
5-(trifluoromethyl)-2H-triazole-4-carboxylic acid
InChI:
InChI=1S/C4H2F3N3O2/c5-4(6,7)2-1(3(11)12)8-10-9-2/h(H,11,12)(H,8,9,10)
InChI Key:
KUDUCYMVMGREMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]nc1C(F)(F)F
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.074g/mol
Monoisotopic Mass:
181.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties