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6-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

CAS: 872510-82-2

Formula: C11H7ClF3N3

SMILES: FC(F)(F)C1=CC=CC(NC2=CC(Cl)=NC=N2)=C1

IUPAC: 6-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

InChI: InChI=1S/C11H7ClF3N3/c12-9-5-10(17-6-16-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H,(H,16,17,18)

Composition: C (48.28%), H (2.58%), Cl (12.95%), F (20.83%), N (15.36%)

Molar Mass: 273.64

Atom Count: 25

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.0280594
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PWQVXSLCVWMYTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.36
Topological Polar Surface Area 37.81
Polarizability 22.44
Ring Count 2
Rotatable Bond Count 3

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