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380871-34-1 molecular structure
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5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride

ChemBase ID: 297481
Molecular Formular: C11H5Cl2NO4
Molecular Mass: 286.0677
Monoisotopic Mass: 284.95956301
SMILES and InChIs

SMILES:
c1cc(c(cc1[N+](=O)[O-])c1ccc(o1)C(=O)Cl)Cl
Canonical SMILES:
Clc1ccc(cc1c1ccc(o1)C(=O)Cl)[N+](=O)[O-]
InChI:
InChI=1S/C11H5Cl2NO4/c12-8-2-1-6(14(16)17)5-7(8)9-3-4-10(18-9)11(13)15/h1-5H
InChIKey:
UEBNEDSLYXBEMR-UHFFFAOYSA-N

Cite this record

CBID:297481 http://www.chembase.cn/molecule-297481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride
IUPAC Traditional name
5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride
Synonyms
5-(2-Chloro-5-nitrophenyl)-2-furoyl chloride
5-(2-氯-5-硝基苯)呋喃-2-甲酰氯
CAS Number
380871-34-1
MDL Number
MFCD02258012
PubChem SID
180683012
PubChem CID
4484927

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 4484927 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 25.782204 Å3 Polar Surface Area 73.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Moisture Sensitive expand Show data source
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
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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