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83800-98-0 molecular structure
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2-(4-bromophenyl)-4-chloroquinazoline

ChemBase ID: 813521
Molecular Formular: C14H8BrClN2
Molecular Mass: 319.58372
Monoisotopic Mass: 317.95593795
SMILES and InChIs

SMILES:
c1ccc2nc(nc(c2c1)Cl)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2
InChI:
InChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKey:
LWOVKRLBRZYBQV-UHFFFAOYSA-N

Cite this record

CBID:813521 http://www.chembase.cn/molecule-813521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)-4-chloroquinazoline
IUPAC Traditional name
2-(4-bromophenyl)-4-chloroquinazoline
Synonyms
2-(4-BROMO-PHENYL)-4-CHLORO-QUINAZOLINE
CAS Number
83800-98-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35251 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35251 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.415361  LogD (pH = 7.4) 5.4153786 
Log P 5.415379  Molar Refractivity 87.7005 cm3
Polarizability 30.929567 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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