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147006-47-1 molecular structure
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5-bromoquinazolin-4-ol

ChemBase ID: 289065
Molecular Formular: C8H5BrN2O
Molecular Mass: 225.0421
Monoisotopic Mass: 223.95852479
SMILES and InChIs

SMILES:
Oc1c2c(Br)cccc2ncn1
Canonical SMILES:
Brc1cccc2c1c(O)ncn2
InChI:
InChI=1S/C8H5BrN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
InChIKey:
QGHJLGZHULRQAJ-UHFFFAOYSA-N

Cite this record

CBID:289065 http://www.chembase.cn/molecule-289065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromoquinazolin-4-ol
IUPAC Traditional name
5-bromoquinazolin-4-ol
Synonyms
5-Bromoquinazolin-4-ol
CAS Number
147006-47-1
PubChem SID
180674596
PubChem CID
20094096

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD216294 Please log in.
Data Source Data ID
PubChem 20094096 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.251722  H Acceptors
H Donor LogD (pH = 5.5) 2.4847064 
LogD (pH = 7.4) 2.4847014  Log P 2.4847074 
Molar Refractivity 48.7177 cm3 Polarizability 19.435703 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

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