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1107694-73-4 molecular structure
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2,5-dichloroquinazolin-4-ol

ChemBase ID: 289705
Molecular Formular: C8H4Cl2N2O
Molecular Mass: 215.03616
Monoisotopic Mass: 213.97006812
SMILES and InChIs

SMILES:
Oc1c2c(Cl)cccc2nc(Cl)n1
Canonical SMILES:
Clc1nc(O)c2c(n1)cccc2Cl
InChI:
InChI=1S/C8H4Cl2N2O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H,11,12,13)
InChIKey:
NMCPFNYWLIXCSX-UHFFFAOYSA-N

Cite this record

CBID:289705 http://www.chembase.cn/molecule-289705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloroquinazolin-4-ol
IUPAC Traditional name
2,5-dichloroquinazolin-4-ol
Synonyms
2,5-Dichloroquinazolin-4-ol
CAS Number
1107694-73-4
PubChem SID
180675236
PubChem CID
34181691

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225304 Please log in.
Data Source Data ID
PubChem 34181691 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.176287  H Acceptors
H Donor LogD (pH = 5.5) 3.2285488 
LogD (pH = 7.4) 3.2284782  Log P 3.2285497 
Molar Refractivity 51.3983 cm3 Polarizability 20.572847 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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