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2,5-Dichloro-2,5-dimethylhexane

CAT: 0572-TRC-D434220-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D434220-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6223-78-5
Synonyms
2,5-Dimethyl-2,5-dichlorohexane; NSC 408418
Hazard Statement
Causes skin irritation.
Smiles
CC(C)(Cl)CCC(C)(C)Cl
Molecular Formula
C8H16Cl2
Molecular Weight
183.12
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hexane, 2,5-dichloro-2,5-dimethyl-
CAS Number6223-78-5
PubChem CID80360
IUPAC Name2,5-dichloro-2,5-dimethylhexane
Molecular FormulaC8H16Cl2
Molecular Weight183.12
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity91
SMILES
CC(C)(CCC(C)(C)Cl)Cl
InChI
InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
InChIKey
HSTAGCWQAIXJQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexane, 2,5-dichloro-2,5-dimethyl-
CAS: 6223-78-5
CID: 80360
Formula: C8H16Cl2
MW: 183.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.12
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass182.0629059
Monoisotopic Mass182.0629059
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity91.8
Isotope Atom Count0
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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