(1R,2R)-1-Chloro-2-ethylcyclopropane

CAS Number: 87863-06-7
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CC[C@H](C1)[C@@H]1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H9Cl
Molecular Weight
104.579
Drug-likeness
-0.27024
CAS
87863-06-7
InChI key
WWEAGJNNVGBMOF-CRCLSJGQSA-N
SMILES
CC[C@H](C1)[C@@H]1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 87863-06-7
Molecule Name (1R,2R)-1-Chloro-2-ethylcyclopropane
Molecular Formula C5H9Cl
SMILES CC[C@H](C1)[C@@H]1Cl
InChI InChI=1S/C5H9Cl/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChI Key WWEAGJNNVGBMOF-CRCLSJGQSA-N
CanonicalSyTyLFy 12f580eb46449b49
TotalMolweight 104.579
Molecular Weight 104.579
MonoisotopicMass 104.039277
CLogP 2.0347
CLogS -2.097
TotalSurfaceArea 80.2
Drug-likeness -0.27024
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.34224
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 5
StereoCon this enantiomer

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