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141602-36-0 molecular structure
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4,5-dichloro-6-(trifluoromethyl)pyrimidine

ChemBase ID: 804297
Molecular Formular: C5HCl2F3N2
Molecular Mass: 216.9760496
Monoisotopic Mass: 215.94688806
SMILES and InChIs

SMILES:
c1(c(ncnc1C(F)(F)F)Cl)Cl
Canonical SMILES:
Clc1ncnc(c1Cl)C(F)(F)F
InChI:
InChI=1S/C5HCl2F3N2/c6-2-3(5(8,9)10)11-1-12-4(2)7/h1H
InChIKey:
OFSXFPPHNGJCLB-UHFFFAOYSA-N

Cite this record

CBID:804297 http://www.chembase.cn/molecule-804297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dichloro-6-(trifluoromethyl)pyrimidine
IUPAC Traditional name
4,5-dichloro-6-(trifluoromethyl)pyrimidine
Synonyms
4,5-DICHLORO-6-TRIFLUOROMETHYLPYRIMIDINE
CAS Number
141602-36-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21215 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21215 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) 2.741701  LogD (pH = 7.4) 2.741701 
Log P 2.741701  Molar Refractivity 38.9949 cm3
Polarizability 14.144707 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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