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2351-37-3 molecular structure
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4-[4-(carbonochloridoyl)phenyl]benzoyl chloride

ChemBase ID: 79306
Molecular Formular: C14H8Cl2O2
Molecular Mass: 279.11812
Monoisotopic Mass: 277.99013486
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)c1ccc(cc1)C(=O)Cl)Cl
Canonical SMILES:
ClC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)Cl
InChI:
InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H
InChIKey:
QDBOAKPEXMMQFO-UHFFFAOYSA-N

Cite this record

CBID:79306 http://www.chembase.cn/molecule-79306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(carbonochloridoyl)phenyl]benzoyl chloride
IUPAC Traditional name
4-[4-(carbonochloridoyl)phenyl]benzoyl chloride
Synonyms
[1,1'-biphenyl]-4,4'-dicarbonyl dichloride
CAS Number
2351-37-3
MDL Number
MFCD00058934
PubChem SID
162044069
PubChem CID
75374

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 75374 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0022964  LogD (pH = 7.4) 4.0022964 
Log P 4.0022964  Molar Refractivity 73.4236 cm3
Polarizability 28.756012 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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