ethyl 2-(4-formyl-2-iodo-6-methoxyphenoxy)acetate

ethyl 2-(4-formyl-2-iodo-6-methoxyphenoxy)acetate

CAS: 428490-71-5

Formula: C12H13IO5

SMILES: CCOC(=O)COC1=C(I)C=C(C=O)C=C1OC

IUPAC: ethyl 2-(4-formyl-2-iodo-6-methoxyphenoxy)acetate

InChI: InChI=1S/C12H13IO5/c1-3-17-11(15)7-18-12-9(13)4-8(6-14)5-10(12)16-2/h4-6H,3,7H2,1-2H3

Composition: C (39.58%), H (3.60%), I (34.85%), O (21.97%)

Molar Mass: 364.135

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	363.98077
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZHWASNOLNDLDCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.53
Topological Polar Surface Area	61.83
Polarizability	28.92
Ring Count	1
Rotatable Bond Count	7

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