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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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 Number	2724427-14-7
PubChem CID	169447315
IUPAC Name	2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
Molecular Formula	C7H4Cl3NO3
Molecular Weight	261.43
XLogP	3
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	216

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

CAS: 2724427-14-7

CID: 169447315

Formula: C7H4Cl3NO3

MW: 261.43

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	261.43
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	259.942450
Monoisotopic Mass	259.942450
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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