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1261988-57-1 molecular structure
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6-(tert-butyldimethylsilyl)-1H-indazole

ChemBase ID: 291080
Molecular Formular: C13H20N2Si
Molecular Mass: 232.3968
Monoisotopic Mass: 232.13957518
SMILES and InChIs

SMILES:
C[Si](c1cc2c(cc1)cn[nH]2)(C(C)(C)C)C
Canonical SMILES:
C[Si](C(C)(C)C)(c1ccc2c(c1)[nH]nc2)C
InChI:
InChI=1S/C13H20N2Si/c1-13(2,3)16(4,5)11-7-6-10-9-14-15-12(10)8-11/h6-9H,1-5H3,(H,14,15)
InChIKey:
VZHBMVZWNVZTFA-UHFFFAOYSA-N

Cite this record

CBID:291080 http://www.chembase.cn/molecule-291080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(tert-butyldimethylsilyl)-1H-indazole
IUPAC Traditional name
6-(tert-butyldimethylsilyl)-1H-indazole
Synonyms
6-(tert-Butyldimethylsilyl)-1H-indazole
CAS Number
1261988-57-1
PubChem SID
180676611
PubChem CID
53216938

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230685 Please log in.
Data Source Data ID
PubChem 53216938 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.589303  H Acceptors
H Donor LogD (pH = 5.5) 3.5644798 
LogD (pH = 7.4) 3.5644994  Log P 3.5645 
Molar Refractivity 66.0899 cm3 Polarizability 28.680305 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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