4-chloro-6-(trifluoromethyl)pyrimidine

4-chloro-6-(trifluoromethyl)pyrimidine

CAS: 37552-81-1

Formula: C5H2ClF3N2

SMILES: FC(F)(F)C1=NC=NC(Cl)=C1

IUPAC: 4-chloro-6-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H

Composition: C (32.90%), H (1.10%), Cl (19.42%), F (31.23%), N (15.35%)

Molar Mass: 182.53

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.9858603
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TYSPDLZOMUDHQZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.19
Topological Polar Surface Area	25.78
Polarizability	12.06
Ring Count	1
Rotatable Bond Count	1

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