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1-chloro-5-iodo-4-methoxy-2-methylbenzene

1-chloro-5-iodo-4-methoxy-2-methylbenzene

CAS: 850864-46-9

Formula: C8H8ClIO

SMILES: COC1=CC(C)=C(Cl)C=C1I

IUPAC: 1-chloro-5-iodo-4-methoxy-2-methylbenzene

InChI: InChI=1S/C8H8ClIO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3

Composition: C (34.01%), H (2.85%), Cl (12.55%), I (44.92%), O (5.66%)

Molar Mass: 282.51

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.93084
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QRBRZQACCUCWPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.73
Topological Polar Surface Area 9.23
Polarizability 21.73
Ring Count 1
Rotatable Bond Count 1

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