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6-Chloro-1-hexanol

CAT: 0572-TRC-C367475-250GSize: 250 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C367475-250GSize:250 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2009-83-8
Synonyms
1-Chloro-6-hexanol; 1-Chloro-6-hydroxyhexane; 6-Chlorohexanol; Hexamethylene Chlorohydrin; NSC 3700; ω-Chlorohexanol
Hazard Statement
No Data Available
Smiles
OCCCCCCCl
Molecular Formula
C6H13ClO
Molecular Weight
136.62
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

6-Chloro-1-hexanol
CAS Number2009-83-8
PubChem CID74828
IUPAC Name6-chlorohexan-1-ol
Molecular FormulaC6H13ClO
Molecular Weight136.62
XLogP1.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity39
SMILES
C(CCCCl)CCO
InChI
InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
JNTPTNNCGDAGEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-1-hexanol
CAS: 2009-83-8
CID: 74828
Formula: C6H13ClO
MW: 136.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.62
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass136.0654927
Monoisotopic Mass136.0654927
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity39.5
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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