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2148-38-1 molecular structure
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5-bromo-4-chloroquinazoline

ChemBase ID: 64825
Molecular Formular: C8H4BrClN2
Molecular Mass: 243.48776
Monoisotopic Mass: 241.92463782
SMILES and InChIs

SMILES:
c1cc(c2c(c1)ncnc2Cl)Br
Canonical SMILES:
Brc1cccc2c1c(Cl)ncn2
InChI:
InChI=1S/C8H4BrClN2/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H
InChIKey:
XCVRQUJTALTMRU-UHFFFAOYSA-N

Cite this record

CBID:64825 http://www.chembase.cn/molecule-64825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-4-chloroquinazoline
IUPAC Traditional name
5-bromo-4-chloroquinazoline
Synonyms
5-Bromo-4-chloroquinazoline
CAS Number
2148-38-1
MDL Number
MFCD09739114
PubChem SID
162030564
PubChem CID
16792315

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16792315 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0180345  LogD (pH = 7.4) 3.018037 
Log P 3.018037  Molar Refractivity 52.2894 cm3
Polarizability 20.784637 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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