2-ethoxy-4-formyl-6-iodophenyl benzoate

2-ethoxy-4-formyl-6-iodophenyl benzoate

CAS: 432017-15-7

Formula: C16H13IO4

SMILES: CCOC1=CC(C=O)=CC(I)=C1OC(=O)C1=CC=CC=C1

IUPAC: 2-ethoxy-4-formyl-6-iodophenyl benzoate

InChI: InChI=1S/C16H13IO4/c1-2-20-14-9-11(10-18)8-13(17)15(14)21-16(19)12-6-4-3-5-7-12/h3-10H,2H2,1H3

Composition: C (48.51%), H (3.31%), I (32.03%), O (16.15%)

Molar Mass: 396.18

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	395.98585
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VVPJXLGWFDBWNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.02
Topological Polar Surface Area	52.6
Polarizability	33.89
Ring Count	2
Rotatable Bond Count	6

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