2H-Benzotriazole-2-acetic acid


Chemical Name: 2H-Benzotriazole-2-acetic acid
CAS Number: 4144-68-7
Product Number: AG00BZXP(AGN-PC-0JU9LZ)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O2
Molecular Weight: 177.1601

Identification/Properties


Properties
MP:
226-228℃(Solv: water (7732-18-5))
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
177.163g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
177.054g/mol
Monoisotopic Mass:
177.054g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
196
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:
Danger
UN#:
3261
Hazard Statements:
H318
Precautionary Statements:
P280-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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