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27052-20-6 molecular structure
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2-(4-chlorobenzoyl)-1-benzofuran

ChemBase ID: 136702
Molecular Formular: C15H9ClO2
Molecular Mass: 256.68376
Monoisotopic Mass: 256.02910721
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc(o2)C(=O)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)C(=O)c1cc2c(o1)cccc2
InChI:
InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChIKey:
FQHJAAOLWZILJU-UHFFFAOYSA-N

Cite this record

CBID:136702 http://www.chembase.cn/molecule-136702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chlorobenzoyl)-1-benzofuran
IUPAC Traditional name
2-(4-chlorobenzoyl)-1-benzofuran
Synonyms
2-Benzofuranyl-(4-chlorophenyl)methanone
(4-Chlorobenzoyl)benzofuran
2-苯并呋喃基-(4-氯苯基)甲酮
(4-氯苯甲酰)苯并呋喃
CAS Number
27052-20-6
MDL Number
MFCD00553345
PubChem SID
162230972
24879495
PubChem CID
838778

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
555819 external link Add to cart Please log in.
Data Source Data ID
PubChem 838778 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.115768  LogD (pH = 7.4) 4.115768 
Log P 4.115768  Molar Refractivity 70.1569 cm3
Polarizability 28.232685 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
147-151 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C15H9ClO2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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