Home > Compound List > Compound details
25625-57-4 molecular structure
click picture or here to close

2-bromo-N-[3-(trifluoromethyl)phenyl]acetamide

ChemBase ID: 32347
Molecular Formular: C9H7BrF3NO
Molecular Mass: 282.0571896
Monoisotopic Mass: 280.96631051
SMILES and InChIs

SMILES:
C(c1cc(NC(=O)CBr)ccc1)(F)(F)F
Canonical SMILES:
BrCC(=O)Nc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C9H7BrF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey:
OSKNAKFZYROIOL-UHFFFAOYSA-N

Cite this record

CBID:32347 http://www.chembase.cn/molecule-32347.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC Traditional name
2-bromo-N-[3-(trifluoromethyl)phenyl]acetamide
Synonyms
2-Bromo-N-[3-(trifluoromethyl)phenyl]acetamide
2-Bromo-N-(3-trifluoromethyl-phenyl)-acetamide
CAS Number
25625-57-4
MDL Number
MFCD00859566
PubChem SID
160995654
PubChem CID
2317152

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2317152 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.434726  H Acceptors
H Donor LogD (pH = 5.5) 2.8116438 
LogD (pH = 7.4) 2.8116434  Log P 2.8116438 
Molar Refractivity 54.6314 cm3 Polarizability 19.493277 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

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