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1291487-17-6 molecular structure
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1-(4-bromo-3-chlorophenyl)pyrrolidin-2-one

ChemBase ID: 290299
Molecular Formular: C10H9BrClNO
Molecular Mass: 274.54156
Monoisotopic Mass: 272.95560359
SMILES and InChIs

SMILES:
O=C1N(c2ccc(Br)c(Cl)c2)CCC1
Canonical SMILES:
O=C1CCCN1c1ccc(c(c1)Cl)Br
InChI:
InChI=1S/C10H9BrClNO/c11-8-4-3-7(6-9(8)12)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2
InChIKey:
HAYOWYDCYKXKDO-UHFFFAOYSA-N

Cite this record

CBID:290299 http://www.chembase.cn/molecule-290299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-bromo-3-chlorophenyl)pyrrolidin-2-one
IUPAC Traditional name
1-(4-bromo-3-chlorophenyl)pyrrolidin-2-one
Synonyms
1-(4-Bromo-3-chlorophenyl)pyrrolidin-2-one
CAS Number
1291487-17-6
PubChem SID
180675830
PubChem CID
54759037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229094 Please log in.
Data Source Data ID
PubChem 54759037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6748226  LogD (pH = 7.4) 2.6748226 
Log P 2.6748226  Molar Refractivity 59.3598 cm3
Polarizability 22.94662 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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