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Methyl 2,5-dichloronicotinate

CAT: 0024-sc-295409Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-295409Size:100 mg
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CAS Number
67754-03-4

Chemical Information

Methyl 2,5-Dichloronicotinate
CAS Number67754-03-4
PubChem CID2764318
IUPAC Namemethyl 2,5-dichloropyridine-3-carboxylate
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.02
XLogP2.3
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
COC(=O)C1=C(N=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChIKey
CNPFXYWTMBTSSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,5-Dichloronicotinate
CAS: 67754-03-4
CID: 2764318
Formula: C7H5Cl2NO2
MW: 206.02
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.02
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass204.9697338
Monoisotopic Mass204.9697338
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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

Related Products

CatalogName
sc-263677Methyl 5,6-dichloronicotinate
sc-263677AMethyl 5,6-dichloronicotinate
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sc-327264Ethyl 2,5-dichloronicotinate
sc-485194Ethyl 5,6-Dichloronicotinate
sc-327259Ethyl 2,4-dichloronicotinate
sc-327259AEthyl 2,4-dichloronicotinate
sc-327509Ethyl 5-bromo-4,6-dichloronicotinate
sc-327509AEthyl 5-bromo-4,6-dichloronicotinate

Alternative Products

CatalogName
OR46527-01Methyl 2,5-dichloronicotinate
OR27409-01Methyl 5,6-dichloronicotinate
OR86361-01Methyl 5-bromo-2,6-dichloronicotinate
455009-01Methyl 2,4-dichloronicotinate
455031-01Methyl 2,6-Dichloronicotinate
455581-01Methyl 4,6-dichloronicotinate
OR75734-01Methyl 2-amino-4,6-dichloronicotinate
OR1006667-01Methyl 4-amino-2,6-dichloronicotinate
FM168847-01Methyl 5-methyl-2-hexenoate
OR91765-01Methyl 2-methyl-5-nitroisonicotinate

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