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Picloram Methyl Ester

CAT: 0127-OR1029726-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1029726-01Size:100 mg
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CAS Number
14143-55-6
Synonyms
Methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Purity
98%
Smiles
COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl

Chemical Information

Picloram-methyl

Picloram-methyl is a methyl ester resulting from the formal condensation of the carboxy group of picloram with methanol. It has a role as a herbicide. It is a methyl ester, an aminopyridine and a chloropyridine. It is functionally related to a picloram.

CAS Number14143-55-6
PubChem CID84224
IUPAC Namemethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Molecular FormulaC7H5Cl3N2O2
Molecular Weight255.5
XLogP2.6
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl
InChI
InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)
InChIKey
RJQUHEYNLDNJLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Picloram-methyl
CAS: 14143-55-6
CID: 84224
Formula: C7H5Cl3N2O2
MW: 255.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass253.941660
Monoisotopic Mass253.941660
Topological Polar Surface Area65.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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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