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26673-31-4 molecular structure
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6-chloro-1,2,3,4-tetrahydronaphthalen-1-one

ChemBase ID: 812870
Molecular Formular: C10H9ClO
Molecular Mass: 180.63086
Monoisotopic Mass: 180.03419259
SMILES and InChIs

SMILES:
C1CCc2c(C1=O)ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)CCCC2=O
InChI:
InChI=1S/C10H9ClO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey:
WQKHERPPDYPMNX-UHFFFAOYSA-N

Cite this record

CBID:812870 http://www.chembase.cn/molecule-812870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC Traditional name
6-chloro-3,4-dihydro-2H-naphthalen-1-one
Synonyms
6-CHLORO-1-TETRALONE
CAS Number
26673-31-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33618 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33618 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.654184  H Acceptors
H Donor LogD (pH = 5.5) 2.8851693 
LogD (pH = 7.4) 2.8851693  Log P 2.8851693 
Molar Refractivity 49.1315 cm3 Polarizability 18.881811 Å3
Polar Surface Area 17.07 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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