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54665-93-9 molecular structure
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4,6-dichloro-2-phenylquinazoline

ChemBase ID: 812069
Molecular Formular: C14H8Cl2N2
Molecular Mass: 275.13272
Monoisotopic Mass: 274.00645363
SMILES and InChIs

SMILES:
c1(ccc2nc(nc(c2c1)Cl)c1ccccc1)Cl
Canonical SMILES:
Clc1ccc2c(c1)c(Cl)nc(n2)c1ccccc1
InChI:
InChI=1S/C14H8Cl2N2/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H
InChIKey:
XALHJBONTKQNKI-UHFFFAOYSA-N

Cite this record

CBID:812069 http://www.chembase.cn/molecule-812069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2-phenylquinazoline
IUPAC Traditional name
4,6-dichloro-2-phenylquinazoline
Synonyms
4,6-DICHLORO-2-PHENYL-QUINAZOLINE
CAS Number
54665-93-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31796 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31796 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) 5.207819  LogD (pH = 7.4) 5.2078214 
Log P 5.2078214  Molar Refractivity 84.8825 cm3
Polarizability 30.137402 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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