Home > Compound List > Compound details
1256359-09-7 molecular structure
click picture or here to close

1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

ChemBase ID: 63147
Molecular Formular: C14H19BN2O2
Molecular Mass: 258.12386
Monoisotopic Mass: 258.15395826
SMILES and InChIs

SMILES:
C1(C(C)(C)OB(c2cc3c(cnn3C)cc2)O1)(C)C
Canonical SMILES:
Cn1ncc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-10-9-16-17(5)12(10)8-11/h6-9H,1-5H3
InChIKey:
SHPRKJZVUGXCTM-UHFFFAOYSA-N

Cite this record

CBID:63147 http://www.chembase.cn/molecule-63147.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Traditional name
1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Synonyms
1-Methylindazole-6-boronic acid pinacol ester
1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS Number
1256359-09-7
MDL Number
MFCD15071439
PubChem SID
162028886
PubChem CID
53216819

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53216819 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2688928  LogD (pH = 7.4) 3.2689 
Log P 3.2689  Molar Refractivity 80.9442 cm3
Polarizability 30.095905 Å3 Polar Surface Area 36.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle