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MFCD03094495 molecular structure
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2,6-difluoro-4-methoxybenzoyl chloride

ChemBase ID: 100145
Molecular Formular: C8H5ClF2O2
Molecular Mass: 206.5739064
Monoisotopic Mass: 205.99461352
SMILES and InChIs

SMILES:
ClC(=O)c1c(cc(cc1F)OC)F
Canonical SMILES:
COc1cc(F)c(c(c1)F)C(=O)Cl
InChI:
InChI=1S/C8H5ClF2O2/c1-13-4-2-5(10)7(8(9)12)6(11)3-4/h2-3H,1H3
InChIKey:
QVJWYHJWQQEEKW-UHFFFAOYSA-N

Cite this record

CBID:100145 http://www.chembase.cn/molecule-100145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoro-4-methoxybenzoyl chloride
IUPAC Traditional name
2,6-difluoro-4-methoxybenzoyl chloride
Synonyms
2,6-Difluoro-4-methoxybenzoyl chloride
MDL Number
MFCD03094495
PubChem SID
162086505
PubChem CID
2778768

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2778768 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2918909  LogD (pH = 7.4) 2.2918909 
Log P 2.2918909  Molar Refractivity 44.0687 cm3
Polarizability 16.252241 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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