1H-Benzotriazole-1-methanol


Chemical Name: 1H-Benzotriazole-1-methanol
CAS Number: 28539-02-8
Product Number: AG002VNC(AGN-PC-0JNCPJ)
Synonyms:
MDL No: MFCD00179118
Molecular Formula: C7H7N3O
Molecular Weight: 149.1500

Identification/Properties


Computed Properties
Molecular Weight:
149.153g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
149.059g/mol
Monoisotopic Mass:
149.059g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
142
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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