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54118-74-0 molecular structure
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(2-chlorophenyl)(4-methoxyphenyl)methanone

ChemBase ID: 164375
Molecular Formular: C14H11ClO2
Molecular Mass: 246.68894
Monoisotopic Mass: 246.04475727
SMILES and InChIs

SMILES:
c1(C(=O)c2ccccc2Cl)ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)C(=O)c1ccccc1Cl
InChI:
InChI=1S/C14H11ClO2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKey:
JLAGTIGTDCDSNA-UHFFFAOYSA-N

Cite this record

CBID:164375 http://www.chembase.cn/molecule-164375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenyl)(4-methoxyphenyl)methanone
IUPAC Traditional name
(2-chlorophenyl)(4-methoxyphenyl)methanone
Synonyms
(2-Chlorophenyl)(4-methoxyphenyl)-methanone
(2-Chlorophenyl)(4-methoxyphenyl)methanone
2-Chloro-4'-methoxybenzophenone
2'-Chloro-4-methoxybenzophenone
2-Chloro-4'-methoxybenzophenone
(2-chlorophenyl)(4-methoxyphenyl)methanone
CAS Number
54118-74-0
MDL Number
MFCD02258268
PubChem SID
162258510
PubChem CID
884932

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 884932 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8789723  LogD (pH = 7.4) 3.8789723 
Log P 3.8789723  Molar Refractivity 67.9015 cm3
Polarizability 26.369104 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Solid expand Show data source
Melting Point
77 - 79°C expand Show data source
Hydrophobicity(logP)
3.899 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C367930 external link
A 4-Methoxybenzophenone derivative. Shows plant growth regulating activity, such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism.

REFERENCES

REFERENCES

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  • • Yamada, O. et al.: Agri. Biol. Chem.38, 2017 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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