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61941-88-6 molecular structure
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5-(2-nitrophenyl)furan-2-carbonyl chloride

ChemBase ID: 297485
Molecular Formular: C11H6ClNO4
Molecular Mass: 251.62264
Monoisotopic Mass: 250.99853536
SMILES and InChIs

SMILES:
c1ccc(c(c1)c1ccc(o1)C(=O)Cl)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccccc1c1ccc(o1)C(=O)Cl
InChI:
InChI=1S/C11H6ClNO4/c12-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)13(15)16/h1-6H
InChIKey:
RRWHGDGMPQFABA-UHFFFAOYSA-N

Cite this record

CBID:297485 http://www.chembase.cn/molecule-297485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-nitrophenyl)furan-2-carbonyl chloride
IUPAC Traditional name
5-(2-nitrophenyl)furan-2-carbonyl chloride
Synonyms
5-(2-Nitrophenyl)-2-furoyl chloride
5-(2-硝基苯基)呋喃-2-甲酰氯
CAS Number
61941-88-6
MDL Number
MFCD02258036
PubChem SID
180683016
PubChem CID
2771973

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 2771973 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7316158  LogD (pH = 7.4) 2.7316158 
Log P 2.7316158  Molar Refractivity 60.8978 cm3
Polarizability 23.832165 Å3 Polar Surface Area 73.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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