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Triclopyr-13C5

CAT: 0572-TRC-T773822-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T773822-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2724427-14-7
Hazard Statement
No Data Available
Smiles
OC(=O)CO[13c]1n[13c](Cl)[13c](Cl)[13cH][13c]1Cl
Molecular Formula
13C5 C2 H4 Cl3 N O3
Molecular Weight
261.434
InChI
InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)/i1+1,3+1,4+1,6+1,7+1
Additionnal Information
IUPAC name: 2-(3,5,6-trichloro(2,3,4,5,6-13C5)pyridin-2-yl)oxyacetic acid
Shipping Conditions
Room Temperature

Chemical Information

Triclopyr-13C5
CAS Number2724427-14-7
PubChem CID169447315
IUPAC Name2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
Molecular FormulaC7H4Cl3NO3
Molecular Weight261.43
XLogP3
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
[13CH]1=[13C]([13C](=N[13C](=[13C]1Cl)Cl)OCC(=O)O)Cl
InChI
InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)/i1+1,3+1,4+1,6+1,7+1
InChIKey
REEQLXCGVXDJSQ-SHLOBVNASA-N
Chemical Structure
2D Structure
2D structure of Triclopyr-13C5
CAS: 2724427-14-7
CID: 169447315
Formula: C7H4Cl3NO3
MW: 261.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.43
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass259.942450
Monoisotopic Mass259.942450
Topological Polar Surface Area59.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
Isotope Atom Count5
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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