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938458-59-4 molecular structure
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(2-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone

ChemBase ID: 306488
Molecular Formular: C15H13ClO3
Molecular Mass: 276.71492
Monoisotopic Mass: 276.05532196
SMILES and InChIs

SMILES:
C(=O)(c1c(Cl)cccc1)c1c(OCOC)cccc1
Canonical SMILES:
COCOc1ccccc1C(=O)c1ccccc1Cl
InChI:
InChI=1S/C15H13ClO3/c1-18-10-19-14-9-5-3-7-12(14)15(17)11-6-2-4-8-13(11)16/h2-9H,10H2,1H3
InChIKey:
JCTLGGNJXHHLGS-UHFFFAOYSA-N

Cite this record

CBID:306488 http://www.chembase.cn/molecule-306488.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone
IUPAC Traditional name
(2-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone
Synonyms
(2-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone
CAS Number
938458-59-4
MDL Number
MFCD09055156

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9420977  LogD (pH = 7.4) 3.9420977 
Log P 3.9420977  Molar Refractivity 73.7545 cm3
Polarizability 28.910086 Å3 Polar Surface Area 35.53 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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