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Methyl 2,6-dichlorobenzoate

CAT: 0931-T22362-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T22362-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14920-87-7
Target
Others
Related Pathways
Others
Purity
0.9903
Bioactivity
Methyl 2,6-dichlorobenzoate (2,6-Dichlorobenzoic acid methyl ester), a biochemical compound, is used for proteomics research.
Smiles
COC(=O)c1c(Cl)cccc1Cl
Molecular Formula
C8H6Cl2O2
Molecular Weight
205.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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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Alternative Products

CatalogName
MBS3611735-01Methyl 2,6-dichlorobenzoate
HJA27549-01Methyl 4-amino-2,6-dichlorobenzoate
OR76142-01Methyl 4-bromo-2,6-dichlorobenzoate
OR91479-01Methyl 3-bromo-2,6-dichlorobenzoate
XFA49404-01Methyl 2-amino-4,6-dichlorobenzoate
OR78774-01Methyl 2-amino-3,6-dichlorobenzoate
OR71081Methyl 6-bromo-2,3-dichlorobenzoate
CS-ZJ-17946Methyl 2,5-dichlorobenzoate
TRC-M301410-1GMethyl 2,3-dichlorobenzoate
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