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959237-64-0 molecular structure
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2,4-dichloro-8-fluoroquinazoline

ChemBase ID: 287915
Molecular Formular: C8H3Cl2FN2
Molecular Mass: 217.0272232
Monoisotopic Mass: 215.96573169
SMILES and InChIs

SMILES:
Fc1cccc2c(Cl)nc(Cl)nc12
Canonical SMILES:
Clc1nc(Cl)c2c(n1)c(F)ccc2
InChI:
InChI=1S/C8H3Cl2FN2/c9-7-4-2-1-3-5(11)6(4)12-8(10)13-7/h1-3H
InChIKey:
VXSUTXKJWJUPLJ-UHFFFAOYSA-N

Cite this record

CBID:287915 http://www.chembase.cn/molecule-287915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-8-fluoroquinazoline
IUPAC Traditional name
2,4-dichloro-8-fluoroquinazoline
Synonyms
2,4-Dichloro-8-fluoroquinazoline
CAS Number
959237-64-0
PubChem SID
180673446
PubChem CID
10330947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD162997 Please log in.
Data Source Data ID
PubChem 10330947 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3005366  LogD (pH = 7.4) 3.3005366 
Log P 3.3005366  Molar Refractivity 50.3816 cm3
Polarizability 19.71879 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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