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5CL : Summary
Code
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5CL
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One-letter code
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X
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Molecule name
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1,2,3,4,5-PENTACHLOROBENZENE
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Systematic names
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Formula
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C6 H Cl5
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Formal charge
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0
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Molecular weight
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250.337 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(Cl)c(Cl)c(Cl)c1Cl |
SMILES
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CACTVS |
3.341 |
Clc1cc(Cl)c(Cl)c(Cl)c1Cl |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl |
Canonical SMILES
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CACTVS |
3.341 |
Clc1cc(Cl)c(Cl)c(Cl)c1Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl |
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IUPAC InChI | InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
IUPAC InChI key | CEOCDNVZRAIOQZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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12 (11 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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2006-04-26
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Last modified at
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2011-06-04
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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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