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78750-77-3 | Benzoic acid, 4-(3H-1,2,3-triazolo[4,5-b]pyridin-3-yl)-, ethyl ester
CAS No: 78750-77-3 Catalog No: AG005JUL MDL No:
Product Description
Catalog Number:
AG005JUL
Chemical Name:
Benzoic acid, 4-(3H-1,2,3-triazolo[4,5-b]pyridin-3-yl)-, ethyl ester
CAS Number:
78750-77-3
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
ethyl 4-(triazolo[4,5-b]pyridin-3-yl)benzoate
InChI:
InChI=1S/C14H12N4O2/c1-2-20-14(19)10-5-7-11(8-6-10)18-13-12(16-17-18)4-3-9-15-13/h3-9H,2H2,1H3
InChI Key:
RXJXVKYRPLLERS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1nnc2c1nccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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