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2148-55-2 molecular structure
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4,5-dichloroquinazoline

ChemBase ID: 282565
Molecular Formular: C8H4Cl2N2
Molecular Mass: 199.03676
Monoisotopic Mass: 197.9751535
SMILES and InChIs

SMILES:
c12c(ncnc2cccc1Cl)Cl
Canonical SMILES:
Clc1cccc2c1c(Cl)ncn2
InChI:
InChI=1S/C8H4Cl2N2/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H
InChIKey:
PCCZEWAQRDIOKD-UHFFFAOYSA-N

Cite this record

CBID:282565 http://www.chembase.cn/molecule-282565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dichloroquinazoline
IUPAC Traditional name
4,5-dichloroquinazoline
Synonyms
4,5-dichloroquinazoline
CAS Number
2148-55-2
MDL Number
MFCD09909637
PubChem SID
180668096
PubChem CID
247911

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 247911 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8533258  LogD (pH = 7.4) 2.853329 
Log P 2.8533292  Molar Refractivity 49.4714 cm3
Polarizability 19.88045 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.546 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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