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CFA : Summary
Code
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CFA
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One-letter code
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X
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Molecule name
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(2,4-DICHLOROPHENOXY)ACETIC ACID
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Synonyms
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2,4-DICHLOROPHENOXYACETIC ACID
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Systematic names
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Formula
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C8 H6 Cl2 O3
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Formal charge
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0
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Molecular weight
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221.037 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(Cl)ccc1OCC(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)COc1ccc(Cl)cc1Cl |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Cl)Cl)OCC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)COc1ccc(Cl)cc1Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Cl)Cl)OCC(=O)O |
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IUPAC InChI | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
IUPAC InChI key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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19 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-12-05
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Last modified at
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2021-03-13
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Status
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Released
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Obsoleted
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Not Assigned
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