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Structure

1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-6-(trifluoromethyl)-

CAS
1780-80-9
Catalog Number
ACM1780809
Category
Other Products
Molecular Weight
222.5551
Molecular Formula
C6H2ClF3N4

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Specification

Synonyms
AmbagaAK-24691, NSC53928, CID243766, 1780-80-9
IUPAC Name
4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
Canonical SMILES
C1=NNC2=C1C(=NC(=N2)C(F)(F)F)Cl
InChI Key
SNIVBXKAXKSWQE-UHFFFAOYSA-N
Boiling Point
186.9ºC at 760mmHg
Flash Point
66.9ºC
Density
1.752g/cm³
Exact Mass
221.99200
H-Bond Acceptor
6
H-Bond Donor
1
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