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67563-72-8 molecular structure
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1-(3-bromopropoxy)-2-methoxybenzene

ChemBase ID: 310729
Molecular Formular: C10H13BrO2
Molecular Mass: 245.11302
Monoisotopic Mass: 244.00989166
SMILES and InChIs

SMILES:
c1(c(OCCCBr)cccc1)OC
Canonical SMILES:
BrCCCOc1ccccc1OC
InChI:
InChI=1S/C10H13BrO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey:
DFYOBINAKRYPOT-UHFFFAOYSA-N

Cite this record

CBID:310729 http://www.chembase.cn/molecule-310729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-bromopropoxy)-2-methoxybenzene
IUPAC Traditional name
1-(3-bromopropoxy)-2-methoxybenzene
Synonyms
1-(3-bromopropoxy)-2-methoxybenzene
CAS Number
67563-72-8
MDL Number
MFCD00596668

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5678482  LogD (pH = 7.4) 2.5678482 
Log P 2.5678482  Molar Refractivity 56.1766 cm3
Polarizability 21.749937 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

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