HOAt

CAT: 1489-H7910-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-H7910-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

39968-33-7

Purity

0.99

Chemical Information

HOAt

structure in first source

CAS Number	39968-33-7
PubChem CID	181649
IUPAC Name	3-hydroxytriazolo[4,5-b]pyridine
Molecular Formula	C5H4N4O
Molecular Weight	136.11
XLogP	0.5
Topological Polar Surface Area	63.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	131

SMILES

C1=CC2=C(N=C1)N(N=N2)O

InChI

InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H

InChIKey

FPIRBHDGWMWJEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39968-33-7

CID: 181649

Formula: C5H4N4O

MW: 136.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.11
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	136.03851076
Monoisotopic Mass	136.03851076
Topological Polar Surface Area	63.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131
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

Catalog	Name
5-02159	HOAt
T209793-01	HOAT-IN-1
FH162259-01	HOAt - 0.6M in DMF
708004	1‐HYDROXY‐7‐AZABENZOTRIAZOLE (HOAT)
81240-01	HOAT (1-Hydroxy-7-azobenzotriazole) pure, 98%
545025-01	1-Hydroxy-7-Azabenzo Triazole (Hoat) AR Protecting Reagent