(3S)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane

(3S)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane

CAS: 915095-94-2

Formula: C17H16ClIO2

SMILES: ClC1=CC=C(I)C=C1CC1=CC=C(O[C@H]2CCOC2)C=C1

IUPAC: (3S)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane

InChI: InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1

Composition: C (49.24%), H (3.89%), Cl (8.55%), I (30.60%), O (7.72%)

Molar Mass: 414.67

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	413.98835
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YLUHNGIWRCCQMQ-INIZCTEOSA-N
Lipinski's Rule of Five
Molar Refractivity	94.04
Topological Polar Surface Area	18.46
Polarizability	36.64
Ring Count	3
Rotatable Bond Count	4

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