Home > Compound List > Compound details
34911-25-6 molecular structure
click picture or here to close

7-chloro-2,3-dihydro-1H-inden-1-one

ChemBase ID: 293597
Molecular Formular: C9H7ClO
Molecular Mass: 166.60428
Monoisotopic Mass: 166.01854252
SMILES and InChIs

SMILES:
O=C1CCc2c1c(Cl)ccc2
Canonical SMILES:
O=C1CCc2c1c(Cl)ccc2
InChI:
InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey:
YNFZQNGHYQYLCF-UHFFFAOYSA-N

Cite this record

CBID:293597 http://www.chembase.cn/molecule-293597.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-2,3-dihydro-1H-inden-1-one
IUPAC Traditional name
7-chloro-2,3-dihydroinden-1-one
Synonyms
7-Chloro-1-indanone
7-Chloro-indan-1-one
CAS Number
34911-25-6
PubChem SID
180679128
PubChem CID
11217449

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11217449 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.612027  H Acceptors
H Donor LogD (pH = 5.5) 2.4406006 
LogD (pH = 7.4) 2.4406006  Log P 2.4406006 
Molar Refractivity 44.5305 cm3 Polarizability 17.055834 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% 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