Home > Compound List > Compound details
143262-17-3 molecular structure
click picture or here to close

tert-butyl 7-bromo-2,3-dihydro-1H-indole-1-carboxylate

ChemBase ID: 293391
Molecular Formular: C13H16BrNO2
Molecular Mass: 298.17564
Monoisotopic Mass: 297.03644076
SMILES and InChIs

SMILES:
O=C(N1CCc2c1c(Br)ccc2)OC(C)(C)C
Canonical SMILES:
O=C(N1CCc2c1c(Br)ccc2)OC(C)(C)C
InChI:
InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
InChIKey:
LHLSVTIQYUAATK-UHFFFAOYSA-N

Cite this record

CBID:293391 http://www.chembase.cn/molecule-293391.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 7-bromo-2,3-dihydro-1H-indole-1-carboxylate
IUPAC Traditional name
tert-butyl 7-bromo-2,3-dihydroindole-1-carboxylate
Synonyms
tert-Butyl 7-bromoindoline-1-carboxylate
CAS Number
143262-17-3
PubChem SID
180678922
PubChem CID
14977844

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD26600 Please log in.
Data Source Data ID
PubChem 14977844 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.556914  LogD (pH = 7.4) 3.556914 
Log P 3.556914  Molar Refractivity 70.3985 cm3
Polarizability 27.175062 Å3 Polar Surface Area 29.54 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

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