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638160-09-5 molecular structure
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5-(4-chloro-3-nitrophenyl)furan-2-carbonyl chloride

ChemBase ID: 297482
Molecular Formular: C11H5Cl2NO4
Molecular Mass: 286.0677
Monoisotopic Mass: 284.95956301
SMILES and InChIs

SMILES:
c1cc(c(cc1c1ccc(o1)C(=O)Cl)[N+](=O)[O-])Cl
Canonical SMILES:
ClC(=O)c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl
InChI:
InChI=1S/C11H5Cl2NO4/c12-7-2-1-6(5-8(7)14(16)17)9-3-4-10(18-9)11(13)15/h1-5H
InChIKey:
YASHGRDOYUBRTA-UHFFFAOYSA-N

Cite this record

CBID:297482 http://www.chembase.cn/molecule-297482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-chloro-3-nitrophenyl)furan-2-carbonyl chloride
IUPAC Traditional name
5-(4-chloro-3-nitrophenyl)furan-2-carbonyl chloride
Synonyms
5-(4-Chloro-3-nitrophenyl)-2-furoyl chloride
5-(4-氯-3-硝基苯基)呋喃-2-甲酰氯
CAS Number
638160-09-5
MDL Number
MFCD02258014
PubChem SID
180683013
PubChem CID
2772077

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 2772077 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3356605  LogD (pH = 7.4) 3.3356605 
Log P 3.3356605  Molar Refractivity 65.7026 cm3
Polarizability 25.796892 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 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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