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24473-00-5 molecular structure
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2,4,6-trichlorobenzaldehyde

ChemBase ID: 288517
Molecular Formular: C7H3Cl3O
Molecular Mass: 209.45712
Monoisotopic Mass: 207.92494776
SMILES and InChIs

SMILES:
Clc1cc(Cl)c(C=O)c(Cl)c1
Canonical SMILES:
O=Cc1c(Cl)cc(cc1Cl)Cl
InChI:
InChI=1S/C7H3Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey:
TWFSYIOOAAYYAL-UHFFFAOYSA-N

Cite this record

CBID:288517 http://www.chembase.cn/molecule-288517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-trichlorobenzaldehyde
IUPAC Traditional name
2,4,6-trichlorobenzaldehyde
Synonyms
2,4,6-Trichlorobenzaldehyde
CAS Number
24473-00-5
MDL Number
MFCD12024961
PubChem SID
180674048
PubChem CID
5314457

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD208481 Please log in.
Data Source Data ID
PubChem 5314457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4978821  LogD (pH = 7.4) 3.4978821 
Log P 3.4978821  Molar Refractivity 47.0564 cm3
Polarizability 18.008062 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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