1H-Indole-3-aceticacid, 5-(1H-1,2,4-triazol-1-ylmethyl)-


Chemical Name: 1H-Indole-3-aceticacid, 5-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number: 177270-91-6
Product Number: AG00257S(AGN-PC-07Y4XG)
Synonyms:
MDL No:
Molecular Formula: C13H12N4O2
Molecular Weight: 256.2600

Identification/Properties


Computed Properties
Molecular Weight:
256.265g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
256.096g/mol
Monoisotopic Mass:
256.096g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
339
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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