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1-Chloro-3,3-dimethylpentane

CAT: 0926-JBA88709-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JBA88709-01Size:50 mg
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CAS Number
34887-09-7
MDL Number
MFCD02258501
Smiles
CCC (C) (C) CCCl
Molecular Formula
C7H15Cl
Molecular Weight
134.65 g/mol
Controlled
No

Chemical Information

1-Chloro-3,3-dimethylpentane
CAS Number34887-09-7
PubChem CID19884395
IUPAC Name1-chloro-3,3-dimethylpentane
Molecular FormulaC7H15Cl
Molecular Weight134.65
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity57
SMILES
CCC(C)(C)CCCl
InChI
InChI=1S/C7H15Cl/c1-4-7(2,3)5-6-8/h4-6H2,1-3H3
InChIKey
WNSWEMWOYMXOIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3,3-dimethylpentane
CAS: 34887-09-7
CID: 19884395
Formula: C7H15Cl
MW: 134.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.65
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass134.0862282
Monoisotopic Mass134.0862282
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity57.4
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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