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Methyl 2,6-dichlorobenzoate

CAT: 1410-M21761-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M21761-01Size:5 mg
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Description
Methyl 2,6-dichlorobenzoate is a biochemical compound that is used for proteomics research.
CAS Number
14920-87-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
205.04
Molecular Formula
C8H6Cl2O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Methyl 2,6-dichlorobenzoate
CAS Number14920-87-7
PubChem CID599542
IUPAC Namemethyl 2,6-dichlorobenzoate
Molecular FormulaC8H6Cl2O2
Molecular Weight205.03
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
COC(=O)C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKey
HEYGSGDIWJDORA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,6-dichlorobenzoate
CAS: 14920-87-7
CID: 599542
Formula: C8H6Cl2O2
MW: 205.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.03
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass203.9744848
Monoisotopic Mass203.9744848
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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