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161425-75-8 molecular structure
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2,6-dibromoquinazoline

ChemBase ID: 66684
Molecular Formular: C8H4Br2N2
Molecular Mass: 287.93876
Monoisotopic Mass: 285.87412214
SMILES and InChIs

SMILES:
n1c(ncc2cc(ccc12)Br)Br
Canonical SMILES:
Brc1ccc2c(c1)cnc(n2)Br
InChI:
InChI=1S/C8H4Br2N2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKey:
NAARTNANGRCYIZ-UHFFFAOYSA-N

Cite this record

CBID:66684 http://www.chembase.cn/molecule-66684.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dibromoquinazoline
IUPAC Traditional name
2,6-dibromoquinazoline
Synonyms
2,6-Dibromoquinazoline
CAS Number
161425-75-8
MDL Number
MFCD04114090
PubChem SID
162032421
PubChem CID
45789972

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2524183  LogD (pH = 7.4) 3.2524183 
Log P 3.2524183  Molar Refractivity 54.5208 cm3
Polarizability 21.853971 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
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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