methyl 4-formyl-2-(trifluoromethyl)benzoate

methyl 4-formyl-2-(trifluoromethyl)benzoate

Formula: C10H7F3O3

SMILES: COC(=O)C1=C(C=C(C=O)C=C1)C(F)(F)F

IUPAC: methyl 4-formyl-2-(trifluoromethyl)benzoate

InChI: InChI=1S/C10H7F3O3/c1-16-9(15)7-3-2-6(5-14)4-8(7)10(11,12)13/h2-5H,1H3

Composition: C (51.74%), H (3.04%), F (24.55%), O (20.67%)

Molar Mass: 232.158

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.034728574
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CGGGWRDRBMSXOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.64
Topological Polar Surface Area	43.37
Polarizability	18
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H7F3O3		Quote Only