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89892-22-8 molecular structure
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7-bromoquinazoline

ChemBase ID: 63086
Molecular Formular: C8H5BrN2
Molecular Mass: 209.0427
Monoisotopic Mass: 207.96361017
SMILES and InChIs

SMILES:
c12cc(Br)ccc1cncn2
Canonical SMILES:
Brc1ccc2c(c1)ncnc2
InChI:
InChI=1S/C8H5BrN2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H
InChIKey:
KMVULHBAEVRKCP-UHFFFAOYSA-N

Cite this record

CBID:63086 http://www.chembase.cn/molecule-63086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromoquinazoline
IUPAC Traditional name
7-bromoquinazoline
Synonyms
7-Bromoquinazoline
CAS Number
89892-22-8
MDL Number
MFCD07778500
PubChem SID
162028825
PubChem CID
11195146

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1937113  LogD (pH = 7.4) 2.1938138 
Log P 2.1938152  Molar Refractivity 46.4233 cm3
Polarizability 18.762974 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
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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