ethyl 4-(2-iodophenyl)-4-oxobutanoate

ethyl 4-(2-iodophenyl)-4-oxobutanoate

CAS: 263273-52-5

Formula: C12H13IO3

SMILES: CCOC(=O)CCC(=O)C1=CC=CC=C1I

IUPAC: ethyl 4-(2-iodophenyl)-4-oxobutanoate

InChI: InChI=1S/C12H13IO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3

Composition: C (43.40%), H (3.95%), I (38.21%), O (14.45%)

Molar Mass: 332.137

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.99094
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SQRWBNWBGWGXJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.23
Topological Polar Surface Area	43.37
Polarizability	27.39
Ring Count	1
Rotatable Bond Count	6

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