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MFCD02656538 molecular structure
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2-chloro-N-[4-(chlorodifluoromethoxy)phenyl]acetamide

ChemBase ID: 100327
Molecular Formular: C9H7Cl2F2NO2
Molecular Mass: 270.0601864
Monoisotopic Mass: 268.98219027
SMILES and InChIs

SMILES:
N(c1ccc(cc1)OC(Cl)(F)F)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccc(cc1)OC(Cl)(F)F
InChI:
InChI=1S/C9H7Cl2F2NO2/c10-5-8(15)14-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey:
LPHQRLINDUDTAY-UHFFFAOYSA-N

Cite this record

CBID:100327 http://www.chembase.cn/molecule-100327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[4-(chlorodifluoromethoxy)phenyl]acetamide
IUPAC Traditional name
2-chloro-N-[4-(chlorodifluoromethoxy)phenyl]acetamide
Synonyms
N-(Chloroacetyl)-4-[chloro(difluoro)methoxy]aniline
2-Chloro-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
MDL Number
MFCD02656538
PubChem SID
162086527
PubChem CID
572794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 572794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.766009  H Acceptors
H Donor LogD (pH = 5.5) 3.4670007 
LogD (pH = 7.4) 3.4670007  Log P 3.4670007 
Molar Refractivity 48.7445 cm3 Polarizability 21.23673 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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