benzyl 4-iodobenzoate

benzyl 4-iodobenzoate

CAS: 136618-42-3

Formula: C14H11IO2

SMILES: IC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 4-iodobenzoate

InChI: InChI=1S/C14H11IO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2

Composition: C (49.73%), H (3.28%), I (37.53%), O (9.46%)

Molar Mass: 338.144

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.98037
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MSSYFJWOCVCQJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.06
Topological Polar Surface Area	26.3
Polarizability	29.39
Ring Count	2
Rotatable Bond Count	4

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