1H-Benzotriazole-5-carboxylic acid, 1-methyl-


Chemical Name: 1H-Benzotriazole-5-carboxylic acid, 1-methyl-
CAS Number: 305381-67-3
Product Number: AG0030HF(AGN-PC-0KKXLZ)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O2
Molecular Weight: 177.1601

Identification/Properties


Computed Properties
Molecular Weight:
177.163g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
177.054g/mol
Monoisotopic Mass:
177.054g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
221
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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