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872998-61-3 molecular structure
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2,4-dibromoquinazoline

ChemBase ID: 66921
Molecular Formular: C8H4Br2N2
Molecular Mass: 287.93876
Monoisotopic Mass: 285.87412214
SMILES and InChIs

SMILES:
n1c(nc(c2ccccc12)Br)Br
Canonical SMILES:
Brc1nc2ccccc2c(n1)Br
InChI:
InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
InChIKey:
CDBAGRHVFMGOON-UHFFFAOYSA-N

Cite this record

CBID:66921 http://www.chembase.cn/molecule-66921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromoquinazoline
IUPAC Traditional name
2,4-dibromoquinazoline
Synonyms
2,4-Dibromoquinazoline
CAS Number
872998-61-3
MDL Number
MFCD09909697
PubChem SID
162032657
PubChem CID
11652183

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4579403  LogD (pH = 7.4) 3.4579403 
Log P 3.4579403  Molar Refractivity 55.363 cm3
Polarizability 21.90982 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
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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