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327049-95-6 molecular structure
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5-(2-bromo-4-nitrophenyl)furan-2-carbaldehyde

ChemBase ID: 231176
Molecular Formular: C11H6BrNO4
Molecular Mass: 296.07364
Monoisotopic Mass: 294.94801968
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(c(c2oc(cc2)C=O)cc1)Br)[O-]
Canonical SMILES:
O=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]
InChI:
InChI=1S/C11H6BrNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H
InChIKey:
LUGZASQDCAESCW-UHFFFAOYSA-N

Cite this record

CBID:231176 http://www.chembase.cn/molecule-231176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-bromo-4-nitrophenyl)furan-2-carbaldehyde
IUPAC Traditional name
5-(2-bromo-4-nitrophenyl)furan-2-carbaldehyde
Synonyms
5-(2-Bromo-4-nitro-phenyl)-furan-2-carbaldehyde
CAS Number
327049-95-6
MDL Number
MFCD00297692
PubChem SID
164287086
PubChem CID
773456

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-04808 external link Add to cart Please log in.
Data Source Data ID
PubChem 773456 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.021958  LogD (pH = 7.4) 3.021958 
Log P 3.021958  Molar Refractivity 64.9941 cm3
Polarizability 24.814667 Å3 Polar Surface Area 76.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
133 - 135°C expand Show data source
Hydrophobicity(logP)
3.136 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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