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Home Carboxys 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1247060-64-5
Catalog Number:
AG019ZRW
Molecular Formula:
C8H5F2N3O2
Molecular Weight:
213.1410
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Product Description
Catalog Number:
AG019ZRW
Chemical Name:
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1247060-64-5
Molecular Formula:
C8H5F2N3O2
Molecular Weight:
213.1410
MDL Number:
MFCD16744438
IUPAC Name:
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15)
InChI Key:
CMRYYTDJRPPXJO-UHFFFAOYSA-N
SMILES:
FC(c1nnc2n1cc(cc2)C(=O)O)F
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.144g/mol
Monoisotopic Mass:
213.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties