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4(7)-Hydroxybenzotriazole

CAT: 0572-TRC-H672550-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H672550-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26725-51-9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Oc1cccc2nn[nH]c12
Molecular Formula
C6H5N3O
Molecular Weight
135.12
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxybenzotriazole
CAS Number26725-51-9
PubChem CID135399369
IUPAC Name2H-benzotriazol-4-ol
Molecular FormulaC6H5N3O
Molecular Weight135.12
XLogP0.7
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity130
SMILES
C1=CC2=NNN=C2C(=C1)O
InChI
InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9)
InChIKey
JMTMSDXUXJISAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxybenzotriazole
CAS: 26725-51-9
CID: 135399369
Formula: C6H5N3O
MW: 135.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.12
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass135.043261791
Monoisotopic Mass135.043261791
Topological Polar Surface Area61.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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abx180549-014-Hydroxybenzotriazole
18513-821-Hydroxybenzotriazole
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sc-3257996-Chloro-1-hydroxybenzotriazole
228795-011-Hydroxybenzotriazole monohydrate 99+% (HPLC)
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