Home Other Building Blocks 5-ETHYNYL-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE

5-ETHYNYL-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE

CAS No.:
1855889-41-6
Catalog Number:
AG01DZ5B
Molecular Formula:
C7H5F3N2
Molecular Weight:
174.1232
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DZ5B
Chemical Name:
5-ETHYNYL-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE
CAS Number:
1855889-41-6
Molecular Formula:
C7H5F3N2
Molecular Weight:
174.1232
MDL Number:
MFCD29060614
IUPAC Name:
5-ethynyl-1-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C7H5F3N2/c1-3-5-4-6(7(8,9)10)11-12(5)2/h1,4H,2H3
InChI Key:
QEYBTDITCMOUCL-UHFFFAOYSA-N
SMILES:
C#Cc1cc(nn1C)C(F)(F)F
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.126g/mol
Monoisotopic Mass:
174.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties