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7498-66-0 molecular structure
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(3-chlorophenyl)(4-chlorophenyl)methanone

ChemBase ID: 306490
Molecular Formular: C13H8Cl2O
Molecular Mass: 251.10802
Monoisotopic Mass: 249.99522024
SMILES and InChIs

SMILES:
C(=O)(c1cc(Cl)ccc1)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)C(=O)c1cccc(c1)Cl
InChI:
InChI=1S/C13H8Cl2O/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H
InChIKey:
XFTXWDDQIXYAGY-UHFFFAOYSA-N

Cite this record

CBID:306490 http://www.chembase.cn/molecule-306490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-chlorophenyl)(4-chlorophenyl)methanone
IUPAC Traditional name
(3-chlorophenyl)(4-chlorophenyl)methanone
Synonyms
(3-chlorophenyl)(4-chlorophenyl)methanone
CAS Number
7498-66-0
MDL Number
MFCD09055159

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

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 25.708305 Å3 Polar Surface Area 17.07 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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