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19811-05-3 molecular structure
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(2,4-dichlorophenyl)(phenyl)methanone

ChemBase ID: 287482
Molecular Formular: C13H8Cl2O
Molecular Mass: 251.10802
Monoisotopic Mass: 249.99522024
SMILES and InChIs

SMILES:
Clc1cc(Cl)c(cc1)C(=O)c1ccccc1
Canonical SMILES:
Clc1ccc(c(c1)Cl)C(=O)c1ccccc1
InChI:
InChI=1S/C13H8Cl2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey:
VLTYTTRXESKBKI-UHFFFAOYSA-N

Cite this record

CBID:287482 http://www.chembase.cn/molecule-287482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-dichlorophenyl)(phenyl)methanone
IUPAC Traditional name
(2,4-dichlorophenyl)(phenyl)methanone
Synonyms
(2,4-Dichlorophenyl)(phenyl)methanone
CAS Number
19811-05-3
MDL Number
MFCD00018374
PubChem SID
180673013
PubChem CID
72867

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD15035 Please log in.
Data Source Data ID
PubChem 72867 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6406884  LogD (pH = 7.4) 4.6406884 
Log P 4.6406884  Molar Refractivity 66.2431 cm3
Polarizability 25.728493 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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