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102877-31-6 molecular structure
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1-(2-chloroethoxy)-3-methoxybenzene

ChemBase ID: 312466
Molecular Formular: C9H11ClO2
Molecular Mass: 186.63544
Monoisotopic Mass: 186.04475727
SMILES and InChIs

SMILES:
c1c(OC)cccc1OCCCl
Canonical SMILES:
ClCCOc1cccc(c1)OC
InChI:
InChI=1S/C9H11ClO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6H2,1H3
InChIKey:
MZITZAORZBGNDH-UHFFFAOYSA-N

Cite this record

CBID:312466 http://www.chembase.cn/molecule-312466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chloroethoxy)-3-methoxybenzene
IUPAC Traditional name
1-(2-chloroethoxy)-3-methoxybenzene
Synonyms
1-(2-chloroethoxy)-3-methoxybenzene
CAS Number
102877-31-6
MDL Number
MFCD08691938

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) 2.3223932  LogD (pH = 7.4) 2.3223932 
Log P 2.3223932  Molar Refractivity 48.3277 cm3
Polarizability 19.036814 Å3 Polar Surface Area 18.46 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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