(1-Chloro-2,2-dimethylpropyl)cyclopropane

CAS Number: 88106-27-8
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CC(C)(C)C(C1CC1)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H15Cl
Molecular Weight
146.66
Drug-likeness
-2.9759
CAS
88106-27-8
InChI key
LGHUUBHNZCVWCR-ZETCQYMHSA-N
SMILES
CC(C)(C)C(C1CC1)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 88106-27-8
Molecule Name (1-Chloro-2,2-dimethylpropyl)cyclopropane
Molecular Formula C8H15Cl
SMILES CC(C)(C)C(C1CC1)Cl
InChI InChI=1S/C8H15Cl/c1-8(2,3)7(9)6-4-5-6/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChI Key LGHUUBHNZCVWCR-ZETCQYMHSA-N
CanonicalSyTyLFy c8853e22fe7d241
TotalMolweight 146.66
Molecular Weight 146.66
MonoisotopicMass 146.086227
CLogP 3.1695
CLogS -2.704
TotalSurfaceArea 115.13
Drug-likeness -2.9759
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.69704
Molecular Complexity 0.51986
Fragments 1
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 3
StereoCon racemate

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