methyl 2-[2-iodo-5-(trifluoromethyl)phenyl]acetate

methyl 2-[2-iodo-5-(trifluoromethyl)phenyl]acetate

Formula: C10H8F3IO2

SMILES: COC(=O)CC1=C(I)C=CC(=C1)C(F)(F)F

IUPAC: methyl 2-[2-iodo-5-(trifluoromethyl)phenyl]acetate

InChI: InChI=1S/C10H8F3IO2/c1-16-9(15)5-6-4-7(10(11,12)13)2-3-8(6)14/h2-4H,5H2,1H3

Composition: C (34.91%), H (2.34%), F (16.56%), I (36.88%), O (9.30%)

Molar Mass: 344.072

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	343.95211
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FWLFKCFCLIOQKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.47
Topological Polar Surface Area	26.3
Polarizability	23.36
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H8F3IO2		Quote Only