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Chemical structure of 2-Bromobenzoic acid-d4

GC74735

2-Bromobenzoic acid-d4

Also known as 2-bromo-3,4,5,6-tetradeuteriobenzoic acid

2-Bromobenzoic acid-d4 is the deuterium labeled 2-Bromobenzoic acid

ChemicalCAS2133385-73-4MW205.04FormulaC7HD4BrO2
CAS number
2133385-73-4
Molecular weight
205.04
Formula
C7HD4BrO2
InChIKey
XRXMNWGCKISMOH-RHQRLBAQSA-N
Catalogue number
GC74735
Brand
GLPBIO
Computed properties PubChem CID 131708637 · XLogP 2.2 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.2
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)Br)[2H])[2H]

Computed descriptors from PubChem (CID 131708637), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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