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885277-58-7 molecular structure
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4-chloro-7-fluoro-2-(2-fluorophenyl)quinazoline

ChemBase ID: 812094
Molecular Formular: C14H7ClF2N2
Molecular Mass: 276.6685864
Monoisotopic Mass: 276.02658235
SMILES and InChIs

SMILES:
c1c(cc2nc(nc(c2c1)Cl)c1c(cccc1)F)F
Canonical SMILES:
Fc1ccc2c(c1)nc(nc2Cl)c1ccccc1F
InChI:
InChI=1S/C14H7ClF2N2/c15-13-10-6-5-8(16)7-12(10)18-14(19-13)9-3-1-2-4-11(9)17/h1-7H
InChIKey:
CJPLLRMAKFFEHE-UHFFFAOYSA-N

Cite this record

CBID:812094 http://www.chembase.cn/molecule-812094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-7-fluoro-2-(2-fluorophenyl)quinazoline
IUPAC Traditional name
4-chloro-7-fluoro-2-(2-fluorophenyl)quinazoline
Synonyms
4-CHLORO-7-FLUORO-2-(2-FLUORO-PHENYL)-QUINAZOLINE
CAS Number
885277-58-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31821 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31821 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) 4.9375744  LogD (pH = 7.4) 4.9375744 
Log P 4.9375744  Molar Refractivity 80.5105 cm3
Polarizability 27.583725 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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