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3351-53-9 molecular structure
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4-(2-bromoethoxy)-1,2-dimethylbenzene

ChemBase ID: 311098
Molecular Formular: C10H13BrO
Molecular Mass: 229.11362
Monoisotopic Mass: 228.01497704
SMILES and InChIs

SMILES:
c1(c(ccc(c1)OCCBr)C)C
Canonical SMILES:
BrCCOc1ccc(c(c1)C)C
InChI:
InChI=1S/C10H13BrO/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6H2,1-2H3
InChIKey:
ISCXPRVQNSOSNL-UHFFFAOYSA-N

Cite this record

CBID:311098 http://www.chembase.cn/molecule-311098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-bromoethoxy)-1,2-dimethylbenzene
IUPAC Traditional name
4-(2-bromoethoxy)-1,2-dimethylbenzene
Synonyms
2-bromoethyl 3,4-dimethylphenyl ether
CAS Number
3351-53-9
MDL Number
MFCD02030854

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6924024  LogD (pH = 7.4) 3.6924024 
Log P 3.6924024  Molar Refractivity 54.9304 cm3
Polarizability 20.867476 Å3 Polar Surface Area 9.23 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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