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MFCD11637191 molecular structure
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furan-3-carbonyl azide

ChemBase ID: 270068
Molecular Formular: C5H3N3O2
Molecular Mass: 137.09622
Monoisotopic Mass: 137.02252635
SMILES and InChIs

SMILES:
c1(C(=O)N=[N+]=[N-])cocc1
Canonical SMILES:
[N-]=[N+]=NC(=O)c1cocc1
InChI:
InChI=1S/C5H3N3O2/c6-8-7-5(9)4-1-2-10-3-4/h1-3H
InChIKey:
HEPRNHUAJNVNDN-UHFFFAOYSA-N

Cite this record

CBID:270068 http://www.chembase.cn/molecule-270068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
furan-3-carbonyl azide
IUPAC Traditional name
furan-3-carbonyl azide
Synonyms
furan-3-carbonyl azide
MDL Number
MFCD11637191
PubChem SID
164325978
PubChem CID
11499225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68748 external link Add to cart Please log in.
Data Source Data ID
PubChem 11499225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4949706  LogD (pH = 7.4) 0.4949706 
Log P 0.60901624  Molar Refractivity 32.2069 cm3
Polarizability 11.506758 Å3 Polar Surface Area 59.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.426 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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