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409348-29-4 molecular structure
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N-(2,5-dichlorophenyl)-2-methoxybenzamide

ChemBase ID: 300857
Molecular Formular: C14H11Cl2NO2
Molecular Mass: 296.14864
Monoisotopic Mass: 295.01668396
SMILES and InChIs

SMILES:
COc1ccccc1C(=O)Nc1cc(ccc1Cl)Cl
Canonical SMILES:
COc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C14H11Cl2NO2/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKey:
VFEAAVMXRIJMFE-UHFFFAOYSA-N

Cite this record

CBID:300857 http://www.chembase.cn/molecule-300857.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,5-dichlorophenyl)-2-methoxybenzamide
IUPAC Traditional name
N-(2,5-dichlorophenyl)-2-methoxybenzamide
Synonyms
N-(2,5-Dichlorophenyl)-2-methoxybenzamide
CAS Number
409348-29-4
MDL Number
MFCD00751776

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.938778  H Acceptors
H Donor LogD (pH = 5.5) 4.1155486 
LogD (pH = 7.4) 4.1155367  Log P 4.1155486 
Molar Refractivity 77.6643 cm3 Polarizability 29.231152 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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