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882672-05-1 molecular structure
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6-bromo-2-chloroquinazoline

ChemBase ID: 67024
Molecular Formular: C8H4BrClN2
Molecular Mass: 243.48776
Monoisotopic Mass: 241.92463782
SMILES and InChIs

SMILES:
n1c(ncc2cc(ccc12)Br)Cl
Canonical SMILES:
Brc1ccc2c(c1)cnc(n2)Cl
InChI:
InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKey:
NYQBZJFZEZEXFP-UHFFFAOYSA-N

Cite this record

CBID:67024 http://www.chembase.cn/molecule-67024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-chloroquinazoline
IUPAC Traditional name
6-bromo-2-chloroquinazoline
Synonyms
6-Bromo-2-chloroquinazoline
CAS Number
882672-05-1
MDL Number
MFCD09261000
PubChem SID
162032760
PubChem CID
17913559

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1023655  LogD (pH = 7.4) 3.1023655 
Log P 3.1023655  Molar Refractivity 51.9219 cm3
Polarizability 20.828592 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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