ethyl 2-(4-iodobenzoyl)benzoate

ethyl 2-(4-iodobenzoyl)benzoate

CAS: 890098-45-0

Formula: C16H13IO3

SMILES: CCOC(=O)C1=CC=CC=C1C(=O)C1=CC=C(I)C=C1

IUPAC: ethyl 2-(4-iodobenzoyl)benzoate

InChI: InChI=1S/C16H13IO3/c1-2-20-16(19)14-6-4-3-5-13(14)15(18)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3

Composition: C (50.55%), H (3.45%), I (33.38%), O (12.62%)

Molar Mass: 380.181

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	379.99094
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OODHNBLTCQNBJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.77
Topological Polar Surface Area	43.37
Polarizability	33.31
Ring Count	2
Rotatable Bond Count	5

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