3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde

3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde

CAS: 100036-64-4

Formula: C14H9F3O

SMILES: FC(F)(F)C1=CC(=CC=C1)C1=CC=C(C=O)C=C1

IUPAC: 3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde

InChI: InChI=1S/C14H9F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-9H

Composition: C (67.20%), H (3.63%), F (22.78%), O (6.39%)

Molar Mass: 250.22

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.060549399
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WRWNNARTYPYHEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.75
Topological Polar Surface Area	17.07
Polarizability	24.1
Ring Count	2
Rotatable Bond Count	3

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