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MFCD16658879 molecular structure
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[2-(9H-fluoren-2-yldimethylsilyl)phenyl]methanol

ChemBase ID: 298089
Molecular Formular: C22H22OSi
Molecular Mass: 330.49498
Monoisotopic Mass: 330.14399186
SMILES and InChIs

SMILES:
C[Si](C)(c1ccc2c(c1)Cc1c2cccc1)c1ccccc1CO
Canonical SMILES:
OCc1ccccc1[Si](c1ccc2c(c1)Cc1c2cccc1)(C)C
InChI:
InChI=1S/C22H22OSi/c1-24(2,22-10-6-4-8-17(22)15-23)19-11-12-21-18(14-19)13-16-7-3-5-9-20(16)21/h3-12,14,23H,13,15H2,1-2H3
InChIKey:
JZEALOHJMFHNHB-UHFFFAOYSA-N

Cite this record

CBID:298089 http://www.chembase.cn/molecule-298089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(9H-fluoren-2-yldimethylsilyl)phenyl]methanol
IUPAC Traditional name
[2-(9H-fluoren-2-yldimethylsilyl)phenyl]methanol
Synonyms
2-[(2-Fluorenyl)dimethylsilyl]benzyl alcohol
2-[2-芴基)二甲基硅烷基]苯甲醇
MDL Number
MFCD16658879
PubChem SID
180683620
PubChem CID
73995342

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 73995342 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.012422  H Acceptors
H Donor LogD (pH = 5.5) 5.8736 
LogD (pH = 7.4) 5.8736  Log P 5.8736 
Molar Refractivity 97.6781 cm3 Polarizability 41.110588 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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