1H-Benzotriazole, 5-(bromomethyl)-1-methyl-


Chemical Name: 1H-Benzotriazole, 5-(bromomethyl)-1-methyl-
CAS Number: 499770-76-2
Product Number: AG0038P8(AGN-PC-0KL7IL)
Synonyms:
MDL No:
Molecular Formula: C8H8BrN3
Molecular Weight: 226.0732

Identification/Properties


Computed Properties
Molecular Weight:
226.077g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
224.99g/mol
Monoisotopic Mass:
224.99g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
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


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