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2-(trifluoromethyl)pyrimidine-5-carbaldehyde

2-(trifluoromethyl)pyrimidine-5-carbaldehyde

CAS: 304693-66-1

Formula: C6H3F3N2O

SMILES: FC(F)(F)C1=NC=C(C=O)C=N1

IUPAC: 2-(trifluoromethyl)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H

Composition: C (40.92%), H (1.72%), F (32.37%), N (15.91%), O (9.09%)

Molar Mass: 176.098

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.019747214
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GAUDQBASERVUGM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.94
Topological Polar Surface Area 42.85
Polarizability 11.97
Ring Count 1
Rotatable Bond Count 2

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