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299202-82-7 molecular structure
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5-(2-methoxy-4-nitrophenyl)furan-2-carbaldehyde

ChemBase ID: 120655
Molecular Formular: C12H9NO5
Molecular Mass: 247.20356
Monoisotopic Mass: 247.04807239
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(c(c2oc(cc2)C=O)cc1)OC)[O-]
Canonical SMILES:
COc1cc(ccc1c1ccc(o1)C=O)[N+](=O)[O-]
InChI:
InChI=1S/C12H9NO5/c1-17-12-6-8(13(15)16)2-4-10(12)11-5-3-9(7-14)18-11/h2-7H,1H3
InChIKey:
BEHUPCUZFVRRTD-UHFFFAOYSA-N

Cite this record

CBID:120655 http://www.chembase.cn/molecule-120655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-methoxy-4-nitrophenyl)furan-2-carbaldehyde
IUPAC Traditional name
5-(2-methoxy-4-nitrophenyl)furan-2-carbaldehyde
Synonyms
5-(2-methoxy-4-nitrophenyl)furan-2-carbaldehyde
5-(2-methoxy-4-nitrophenyl)-2-furaldehyde
CAS Number
299202-82-7
MDL Number
MFCD00613051
PubChem SID
162215008
PubChem CID
689217

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 689217 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0955343  LogD (pH = 7.4) 2.0955343 
Log P 2.0955343  Molar Refractivity 62.8303 cm3
Polarizability 24.463224 Å3 Polar Surface Area 82.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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