methyl 1-(4-chlorophenyl)-5-methyltriazole-4-carboxylate


Chemical Name: methyl 1-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CAS Number: 1147199-25-4
Product Number: AG000F39(AGN-PC-06VQ6R)
Synonyms:
MDL No: MFCD12968656
Molecular Formula: C11H10ClN3O2
Molecular Weight: 251.6690

Identification/Properties


Computed Properties
Molecular Weight:
251.67g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
251.046g/mol
Monoisotopic Mass:
251.046g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
282
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

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NMR Spectrum


Other Analytical Data


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