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1147531-02-9 molecular structure
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O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate

ChemBase ID: 65806
Molecular Formular: C13H20BrNO3Si-
Molecular Mass: 346.2923
Monoisotopic Mass: 345.03958204
SMILES and InChIs

SMILES:
c1ccc(c(c1Br)C[O-][Si](C)(C(C)(C)C)C)[N+](=O)[O-]
Canonical SMILES:
Brc1cccc(c1C[O-][Si](C(C)(C)C)(C)C)[N+](=O)[O-]
InChI:
InChI=1S/C13H20BrNO3Si/c1-13(2,3)19(4,5)18-9-10-11(14)7-6-8-12(10)15(16)17/h6-8H,9H2,1-5H3/q-1
InChIKey:
WWNSUAODTMSSNH-UHFFFAOYSA-N

Cite this record

CBID:65806 http://www.chembase.cn/molecule-65806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate
IUPAC Traditional name
O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate
Synonyms
(2-Bromo-6-nitrobenzyloxy)(tert-butyl)dimethylsilane
CAS Number
1147531-02-9
MDL Number
MFCD22199274
PubChem SID
162031545
PubChem CID
0

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 77.6695 cm3 Polar Surface Area 55.05 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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