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(1R,2S,3S,4R,5S,6r)-1,2,3,4,5,6-hexachlorocyclohexane
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ChemBase ID:
158423
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Molecular Formular:
C6H6Cl6
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Molecular Mass:
290.82984
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Monoisotopic Mass:
287.86006627
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SMILES and InChIs
SMILES:
[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1Cl)Cl)Cl)Cl)Cl)Cl
Canonical SMILES:
Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl
InChI:
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
InChIKey:
JLYXXMFPNIAWKQ-GPIVLXJGSA-N
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Cite this record
CBID:158423 http://www.chembase.cn/molecule-158423.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,2S,3S,4R,5S,6r)-1,2,3,4,5,6-hexachlorocyclohexane
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IUPAC Traditional name
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(1R,2S,3S,4R,5S,6r)-1,2,3,4,5,6-hexachlorocyclohexane
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Synonyms
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δ-1,2,3,4,5,6-Hexachlorocyclohexane
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δ-HCH
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δ-BHC
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δ-1,2,3,4,5,6-六氯环己烷
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δ-六六六
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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4.3455415
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LogD (pH = 7.4)
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4.3455415
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Log P
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4.3455415
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Molar Refractivity
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54.081 cm3
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Polarizability
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22.464584 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
33377
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Legal Information PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH |
PATENTS
PATENTS
PubChem Patent
Google Patent