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1623-95-6 molecular structure
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4-phenoxybenzoyl chloride

ChemBase ID: 92560
Molecular Formular: C13H9ClO2
Molecular Mass: 232.66236
Monoisotopic Mass: 232.02910721
SMILES and InChIs

SMILES:
O(c1ccc(cc1)C(=O)Cl)c1ccccc1
Canonical SMILES:
ClC(=O)c1ccc(cc1)Oc1ccccc1
InChI:
InChI=1S/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKey:
AOOZVQGGMFGGEE-UHFFFAOYSA-N

Cite this record

CBID:92560 http://www.chembase.cn/molecule-92560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenoxybenzoyl chloride
IUPAC Traditional name
4-phenoxybenzoyl chloride
Synonyms
4-phenoxybenzoyl chloride
4-Phenoxybenzoyl chloride 97%
CAS Number
1623-95-6
MDL Number
MFCD00043966
PubChem SID
162079258
PubChem CID
74193

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74193 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6644456  LogD (pH = 7.4) 3.6644456 
Log P 3.6644456  Molar Refractivity 63.4135 cm3
Polarizability 24.39482 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)
Partition Coefficient
4.093 expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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