Home > Compound List > Compound details
223555-90-6 molecular structure
click picture or here to close

2-(4-bromophenyl)-N-ethylacetamide

ChemBase ID: 311660
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
C(=O)(Cc1ccc(Br)cc1)NCC
Canonical SMILES:
CCNC(=O)Cc1ccc(cc1)Br
InChI:
InChI=1S/C10H12BrNO/c1-2-12-10(13)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey:
WYMOWHKSHZGGNX-UHFFFAOYSA-N

Cite this record

CBID:311660 http://www.chembase.cn/molecule-311660.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)-N-ethylacetamide
IUPAC Traditional name
2-(4-bromophenyl)-N-ethylacetamide
Synonyms
2-(4-bromophenyl)-N-ethylacetamide
CAS Number
223555-90-6
MDL Number
MFCD02860731

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6608061 external link Add to cart
Data Source Data ID Price
ChemBridge
6608061 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1532881  LogD (pH = 7.4) 2.1532881 
Log P 2.1532881  Molar Refractivity 56.4559 cm3
Polarizability 21.676485 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle