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1-chloro-4-(3-iodopropoxy)benzene

1-chloro-4-(3-iodopropoxy)benzene

CAS: 119795-57-2

Formula: C9H10ClIO

SMILES: ClC1=CC=C(OCCCI)C=C1

IUPAC: 1-chloro-4-(3-iodopropoxy)benzene

InChI: InChI=1S/C9H10ClIO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7H2

Composition: C (36.45%), H (3.40%), Cl (11.95%), I (42.80%), O (5.40%)

Molar Mass: 296.53

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 295.94649
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HVVWUBWHLIPSCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.77
Topological Polar Surface Area 9.23
Polarizability 23.44
Ring Count 1
Rotatable Bond Count 4

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