5-bromo-4-(trifluoromethyl)pyrimidine

5-bromo-4-(trifluoromethyl)pyrimidine

CAS: 785777-88-0

Formula: C5H2BrF3N2

SMILES: FC(F)(F)C1=NC=NC=C1Br

IUPAC: 5-bromo-4-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H

Composition: C (26.46%), H (0.89%), Br (35.20%), F (25.11%), N (12.34%)

Molar Mass: 226.984

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.935346
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XQBMNXRFVINPTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.95
Topological Polar Surface Area	25.78
Polarizability	13.25
Ring Count	1
Rotatable Bond Count	1

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