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

CAS Number: 26531-74-8
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C[C@H](C1)[C@@H]1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C4H7Cl
Molecular Weight
90.5526
Drug-likeness
-0.67613
CAS
26531-74-8
InChI key
KQYTYGONQSPCFT-IUYQGCFVSA-N
SMILES
C[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 26531-74-8
Molecule Name (1R,2R)-1-Chloro-2-methylcyclopropane
Molecular Formula C4H7Cl
SMILES C[C@H](C1)[C@@H]1Cl
InChI InChI=1S/C4H7Cl/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4+/m0/s1
InChI Key KQYTYGONQSPCFT-IUYQGCFVSA-N
CanonicalSyTyLFy fa1c6c1b60e3e882
TotalMolweight 90.5526
Molecular Weight 90.5526
MonoisotopicMass 90.023627
CLogP 1.5803
CLogS -1.827
TotalSurfaceArea 66.44
Drug-likeness -0.67613
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecular Complexity 0.80472
Fragments 1
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 4
StereoCon this enantiomer

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