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5-nitro-2-(trifluoromethoxy)benzaldehyde

5-nitro-2-(trifluoromethoxy)benzaldehyde

CAS: 160503-78-6

Formula: C8H4F3NO4

SMILES: [O-][N+](=O)C1=CC(C=O)=C(OC(F)(F)F)C=C1

IUPAC: 5-nitro-2-(trifluoromethoxy)benzaldehyde

InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)16-7-2-1-6(12(14)15)3-5(7)4-13/h1-4H

Composition: C (40.87%), H (1.71%), F (24.24%), N (5.96%), O (27.22%)

Molar Mass: 235.118

Atom Count: 20

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.009242102
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BYJIGJLBSZLEGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.03
Topological Polar Surface Area 69.44
Polarizability 16.44
Ring Count 1
Rotatable Bond Count 4

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