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MFCD07801094 molecular structure
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N-[4-(2-bromoethoxy)phenyl]acetamide

ChemBase ID: 17876
Molecular Formular: C10H12BrNO2
Molecular Mass: 258.11178
Monoisotopic Mass: 257.00514063
SMILES and InChIs

SMILES:
c1(ccc(cc1)OCCBr)NC(=O)C
Canonical SMILES:
BrCCOc1ccc(cc1)NC(=O)C
InChI:
InChI=1S/C10H12BrNO2/c1-8(13)12-9-2-4-10(5-3-9)14-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey:
YDRBDDQOSNYXBE-UHFFFAOYSA-N

Cite this record

CBID:17876 http://www.chembase.cn/molecule-17876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2-bromoethoxy)phenyl]acetamide
IUPAC Traditional name
N-[4-(2-bromoethoxy)phenyl]acetamide
Synonyms
N-[4-(2-Bromo-ethoxy)-phenyl]-acetamide
MDL Number
MFCD07801094
PubChem SID
160981183
PubChem CID
6483715

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
019932 external link Add to cart Please log in.
Data Source Data ID
PubChem 6483715 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.975228  H Acceptors
H Donor LogD (pH = 5.5) 1.90327 
LogD (pH = 7.4) 1.90327  Log P 1.90327 
Molar Refractivity 59.711 cm3 Polarizability 22.320435 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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