Home > Compound List > Compound details
20201-26-7 molecular structure
click picture or here to close

ethyl 2-(4-bromophenyl)-2-oxoacetate

ChemBase ID: 810723
Molecular Formular: C10H9BrO3
Molecular Mass: 257.08066
Monoisotopic Mass: 255.97350615
SMILES and InChIs

SMILES:
C(=O)(OCC)C(=O)c1ccc(cc1)Br
Canonical SMILES:
CCOC(=O)C(=O)c1ccc(cc1)Br
InChI:
InChI=1S/C10H9BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKey:
SFOMTBBEDGCTHQ-UHFFFAOYSA-N

Cite this record

CBID:810723 http://www.chembase.cn/molecule-810723.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(4-bromophenyl)-2-oxoacetate
IUPAC Traditional name
ethyl 2-(4-bromophenyl)-2-oxoacetate
Synonyms
ETHYL 4-BROMOBENZOYLFORMATE
CAS Number
20201-26-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29522 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29522 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) 2.9952755  LogD (pH = 7.4) 2.9952755 
Log P 2.9952755  Molar Refractivity 55.3962 cm3
Polarizability 21.412575 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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