1H-Benzotriazole, 1,1',1''-methylidynetris-


Chemical Name: 1H-Benzotriazole, 1,1',1''-methylidynetris-
CAS Number: 88088-95-3
Product Number: AG00GSOC(AGN-PC-0KZB4X)
Synonyms:
MDL No:
Molecular Formula: C19H13N9
Molecular Weight: 367.3668

Identification/Properties


Computed Properties
Molecular Weight:
367.376g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
367.129g/mol
Monoisotopic Mass:
367.129g/mol
Topological Polar Surface Area:
92.1A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
485
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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