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MFCD11632063 molecular structure
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2,3-dihydro-1-benzofuran-5-sulfonyl azide

ChemBase ID: 270049
Molecular Formular: C8H7N3O3S
Molecular Mass: 225.22448
Monoisotopic Mass: 225.0208121
SMILES and InChIs

SMILES:
S(=O)(=O)(N=[N+]=[N-])c1cc2c(OCC2)cc1
Canonical SMILES:
[N-]=[N+]=NS(=O)(=O)c1ccc2c(c1)CCO2
InChI:
InChI=1S/C8H7N3O3S/c9-10-11-15(12,13)7-1-2-8-6(5-7)3-4-14-8/h1-2,5H,3-4H2
InChIKey:
KOEZLXZQPXXDQB-UHFFFAOYSA-N

Cite this record

CBID:270049 http://www.chembase.cn/molecule-270049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1-benzofuran-5-sulfonyl azide
IUPAC Traditional name
2,3-dihydro-1-benzofuran-5-sulfonyl azide
Synonyms
2,3-dihydro-1-benzofuran-5-sulfonyl azide
MDL Number
MFCD11632063
PubChem SID
164325959
PubChem CID
43286667

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68717 external link Add to cart Please log in.
Data Source Data ID
PubChem 43286667 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.99233276  LogD (pH = 7.4) 0.99233276 
Log P 1.1063784  Molar Refractivity 52.5458 cm3
Polarizability 20.405848 Å3 Polar Surface Area 72.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.908 expand Show data source
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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