Home Other Building Blocks 2-ethynyl-5-(trifluoromethoxy)pyrazine

2-ethynyl-5-(trifluoromethoxy)pyrazine

CAS No.:
1863534-37-5
Catalog Number:
AG01BTF6
Molecular Formula:
C7H3F3N2O
Molecular Weight:
188.1067
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Product Description
Catalog Number:
AG01BTF6
Chemical Name:
2-ethynyl-5-(trifluoromethoxy)pyrazine
CAS Number:
1863534-37-5
Molecular Formula:
C7H3F3N2O
Molecular Weight:
188.1067
MDL Number:
MFCD30093693
IUPAC Name:
2-ethynyl-5-(trifluoromethoxy)pyrazine
InChI:
InChI=1S/C7H3F3N2O/c1-2-5-3-12-6(4-11-5)13-7(8,9)10/h1,3-4H
InChI Key:
BKEPMGXOOFEYSZ-UHFFFAOYSA-N
SMILES:
C#Cc1ncc(nc1)OC(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.109g/mol
Monoisotopic Mass:
188.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties