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181021-20-5 molecular structure
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[2-(2-bromophenyl)ethoxy](tert-butyl)dimethylsilane

ChemBase ID: 91474
Molecular Formular: C14H23BrOSi
Molecular Mass: 315.32132
Monoisotopic Mass: 314.07015389
SMILES and InChIs

SMILES:
[Si](C)(OCCc1ccccc1Br)(C)C(C)(C)C
Canonical SMILES:
Brc1ccccc1CCO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h6-9H,10-11H2,1-5H3
InChIKey:
PHFIKLUHTYXQSP-UHFFFAOYSA-N

Cite this record

CBID:91474 http://www.chembase.cn/molecule-91474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(2-bromophenyl)ethoxy](tert-butyl)dimethylsilane
IUPAC Traditional name
[2-(2-bromophenyl)ethoxy](tert-butyl)dimethylsilane
Synonyms
(2-Bromophenethoxy)(tert-butyl)dimethylsilane
2-(2-tert-Butyldimethylsilyloxyethyl)bromobenzene 98%
CAS Number
181021-20-5
MDL Number
MFCD09258648
PubChem SID
162078173
PubChem CID
10757710

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 10757710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1183  LogD (pH = 7.4) 5.1183 
Log P 5.1183  Molar Refractivity 75.0998 cm3
Polarizability 31.30286 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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