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4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

CAS: 147972-27-8

Formula: C7H2ClF3N2S

SMILES: FC(F)(F)C1=NC(Cl)=C2SC=CC2=N1

IUPAC: 4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

InChI: InChI=1S/C7H2ClF3N2S/c8-5-4-3(1-2-14-4)12-6(13-5)7(9,10)11/h1-2H

Composition: C (35.24%), H (0.84%), Cl (14.86%), F (23.89%), N (11.74%), S (13.44%)

Molar Mass: 238.61

Atom Count: 16

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.9579314
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZUEIVUWZCAKOPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.19
Topological Polar Surface Area 25.78
Polarizability 18.04
Ring Count 2
Rotatable Bond Count 1

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