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3245-40-7 molecular structure
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1-(3-bromopropoxy)-3-methoxybenzene

ChemBase ID: 310730
Molecular Formular: C10H13BrO2
Molecular Mass: 245.11302
Monoisotopic Mass: 244.00989166
SMILES and InChIs

SMILES:
c1c(OC)cccc1OCCCBr
Canonical SMILES:
BrCCCOc1cccc(c1)OC
InChI:
InChI=1S/C10H13BrO2/c1-12-9-4-2-5-10(8-9)13-7-3-6-11/h2,4-5,8H,3,6-7H2,1H3
InChIKey:
KWEIDOLHJXLAKX-UHFFFAOYSA-N

Cite this record

CBID:310730 http://www.chembase.cn/molecule-310730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-bromopropoxy)-3-methoxybenzene
IUPAC Traditional name
1-(3-bromopropoxy)-3-methoxybenzene
Synonyms
1-(3-bromopropoxy)-3-methoxybenzene
CAS Number
3245-40-7
MDL Number
MFCD00596670

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 21.74854 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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