methyl 3-[4-(trifluoromethyl)benzoyloxy]prop-2-enoate

methyl 3-[4-(trifluoromethyl)benzoyloxy]prop-2-enoate

CAS: 400878-21-9

Formula: C12H9F3O4

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

IUPAC: methyl 3-[4-(trifluoromethyl)benzoyloxy]prop-2-enoate

InChI: InChI=1S/C12H9F3O4/c1-18-10(16)6-7-19-11(17)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3

Composition: C (52.57%), H (3.31%), F (20.79%), O (23.34%)

Molar Mass: 274.195

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.045293259
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PCVMIBKJGDEZEK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.83
Topological Polar Surface Area	52.6
Polarizability	22.13
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	400878-21-9		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70