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214210-03-4 molecular structure
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2-(3-bromophenoxy)acetamide

ChemBase ID: 312673
Molecular Formular: C8H8BrNO2
Molecular Mass: 230.05862
Monoisotopic Mass: 228.9738405
SMILES and InChIs

SMILES:
C(=O)(COc1cc(Br)ccc1)N
Canonical SMILES:
NC(=O)COc1cccc(c1)Br
InChI:
InChI=1S/C8H8BrNO2/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey:
STBGWLWAHXTFMK-UHFFFAOYSA-N

Cite this record

CBID:312673 http://www.chembase.cn/molecule-312673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-bromophenoxy)acetamide
IUPAC Traditional name
2-(3-bromophenoxy)acetamide
Synonyms
2-(3-bromophenoxy)acetamide
CAS Number
214210-03-4
MDL Number
MFCD08550325

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9071988 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2553679  LogD (pH = 7.4) 1.2553679 
Log P 1.2553679  Molar Refractivity 48.0508 cm3
Polarizability 18.806261 Å3 Polar Surface Area 52.32 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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