1H-Benzotriazole, 5-fluoro-


Chemical Name: 1H-Benzotriazole, 5-fluoro-
CAS Number: 18225-90-6
Product Number: AG0023IQ(AGN-PC-0O55UU)
Synonyms:
MDL No:
Molecular Formula: C6H4FN3
Molecular Weight: 137.1145

Identification/Properties


Computed Properties
Molecular Weight:
137.117g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
137.039g/mol
Monoisotopic Mass:
137.039g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
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:
H302
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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