Home Carboxys 5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid

5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid

CAS No.:
1174323-38-6
Catalog Number:
AG01BCIU
Molecular Formula:
C7H6F2N2O3
Molecular Weight:
204.1309
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Product Description
Catalog Number:
AG01BCIU
Chemical Name:
5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid
CAS Number:
1174323-38-6
Molecular Formula:
C7H6F2N2O3
Molecular Weight:
204.1309
MDL Number:
MFCD24230936
IUPAC Name:
5-(2,2-difluoroethoxy)pyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H6F2N2O3/c8-5(9)3-14-6-2-10-4(1-11-6)7(12)13/h1-2,5H,3H2,(H,12,13)
InChI Key:
PBJZKVWVDFJTRA-UHFFFAOYSA-N
SMILES:
FC(COc1ncc(nc1)C(=O)O)F
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.133g/mol
Monoisotopic Mass:
204.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties