HOBT Monohydrate pure, 99%

CAT: 0565-27645-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0565-27645-01Size:25 g

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Description

Part B

CAS Number

123333-53-9

UN Code

UN No.: 3474, IMCO Class No.: 4.1, Packing Group: I

Storage Temperature

8 - 25°C

Chemical Information

1-Hydroxybenzotriazole hydrate

CAS Number	123333-53-9
PubChem CID	2796029
IUPAC Name	1-hydroxybenzotriazole;hydrate
Molecular Formula	C6H7N3O2
Molecular Weight	153.14
Topological Polar Surface Area	51.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

C1=CC=C2C(=C1)N=NN2O.O

InChI

InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2

InChIKey

PJUPKRYGDFTMTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123333-53-9

CID: 2796029

Formula: C6H7N3O2

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	153.053826475
Monoisotopic Mass	153.053826475
Topological Polar Surface Area	51.9 Å²
Heavy Atom Count	11
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	2
Compound Is Canonicalized	Yes

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