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Chemical structure of 1H-Benzotriazole-4,5,6,7-d4

GC26641

1H-Benzotriazole-4,5,6,7-d4

Also known as 4,5,6,7-tetradeuterio-2H-benzotriazole

1H-Benzotriazole-4,5,6,7-d4 is the deuterium labeled 1H-Benzo[d][1,2,3]triazole

ChemicalCAS1185072-03-0MW123.15FormulaC6HD4N3
CAS number
1185072-03-0
Molecular weight
123.15
Formula
C6HD4N3
InChIKey
QRUDEWIWKLJBPS-RHQRLBAQSA-N
Catalogue number
GC26641
Brand
GLPBIO
Computed properties PubChem CID 45038205 · XLogP 1 · TPSA 41.6 Ų · H-bond donors 1
XLogP
1
TPSA
41.6 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

SMILES [2H]C1=C(C2=NNN=C2C(=C1[2H])[2H])[2H]

Computed descriptors from PubChem (CID 45038205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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