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Chemical structure of 2-Chlorobenzoic acid-d4

GC72741

2-Chlorobenzoic acid-d4

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

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

ChemicalCAS1219795-28-4MW160.59FormulaC7HD4ClO2
CAS number
1219795-28-4
Molecular weight
160.59
Formula
C7HD4ClO2
Solubility
DMSO : ≥ 125 mg/mL (778·38 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
IKCLCGXPQILATA-RHQRLBAQSA-N
Catalogue number
GC72741
Brand
GLPBIO
Computed properties PubChem CID 49849346 · XLogP 2.1 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.1
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)Cl)[2H])[2H]

Computed descriptors from PubChem (CID 49849346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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