Home > Compound List > Compound details
16499-64-2 molecular structure
click picture or here to close

4-chloro-6-(trifluoromethyl)quinazoline

ChemBase ID: 804010
Molecular Formular: C9H4ClF3N2
Molecular Mass: 232.5896696
Monoisotopic Mass: 232.00151048
SMILES and InChIs

SMILES:
c1(ccc2ncnc(c2c1)Cl)C(F)(F)F
Canonical SMILES:
Clc1ncnc2c1cc(cc2)C(F)(F)F
InChI:
InChI=1S/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H
InChIKey:
OJNBXNWWYXBHGZ-UHFFFAOYSA-N

Cite this record

CBID:804010 http://www.chembase.cn/molecule-804010.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-(trifluoromethyl)quinazoline
IUPAC Traditional name
4-chloro-6-(trifluoromethyl)quinazoline
Synonyms
4-CHLORO-6-(TRIFLUOROMETHYL)QUINAZOLINE
CAS Number
16499-64-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20789 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20789 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) 3.1271236  LogD (pH = 7.4) 3.1271327 
Log P 3.127133  Molar Refractivity 50.6403 cm3
Polarizability 19.141823 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle