1H-Benzotriazole-5-carboxylic acid, 1-(1-methylethyl)-


Chemical Name: 1H-Benzotriazole-5-carboxylic acid, 1-(1-methylethyl)-
CAS Number: 306935-41-1
Product Number: AG0030VT(AGN-PC-0KK802)
Synonyms:
MDL No:
Molecular Formula: C10H11N3O2
Molecular Weight: 205.2132

Identification/Properties


Computed Properties
Molecular Weight:
205.217g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
205.085g/mol
Monoisotopic Mass:
205.085g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
257
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


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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