9-(Chloromethyl)-9H-fluorene

CAS Number: 36375-77-6
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ClCC1c(cccc2)c2-c2c1cccc2
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
C14H11Cl
Molecular Weight
214.694
Drug-likeness
-1.8253
CAS
36375-77-6
InChI key
KWRQHOKCZDPPQT-UHFFFAOYSA-N
SMILES
ClCC1c(cccc2)c2-c2c1cccc2
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 36375-77-6
Molecule Name 9-(Chloromethyl)-9H-fluorene
Molecular Formula C14H11Cl
SMILES ClCC1c(cccc2)c2-c2c1cccc2
InChI InChI=1S/C14H11Cl/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChI Key KWRQHOKCZDPPQT-UHFFFAOYSA-N
CanonicalSyTyLFy b87439b1bf32e734
TotalMolweight 214.694
Molecular Weight 214.694
MonoisotopicMass 214.054927
CLogP 3.5573
CLogS -4.669
TotalSurfaceArea 161.2
Drug-likeness -1.8253
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 0.46667
Molecula Flexibility 0.14476
Molecular Complexity 0.75329
Fragments 1
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 2
Symmetricatoms 6

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