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1-Chloro-5-methylhexan-2-ol

CAT: 0926-HEA32380-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-HEA32380-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107323-80-8
MDL Number
MFCD19232587
Smiles
CC (C) CCC (CCl) O
Molecular Formula
C7H15ClO
Molecular Weight
150.64 g/mol
Controlled
No

Chemical Information

1-Chloro-5-methylhexan-2-ol
CAS Number107323-80-8
PubChem CID15606763
IUPAC Name1-chloro-5-methylhexan-2-ol
Molecular FormulaC7H15ClO
Molecular Weight150.64
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity63
SMILES
CC(C)CCC(CCl)O
InChI
InChI=1S/C7H15ClO/c1-6(2)3-4-7(9)5-8/h6-7,9H,3-5H2,1-2H3
InChIKey
UIGDANNMZNVMNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-5-methylhexan-2-ol
CAS: 107323-80-8
CID: 15606763
Formula: C7H15ClO
MW: 150.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.64
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass150.0811428
Monoisotopic Mass150.0811428
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity63.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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