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1-iodo-2,3-dimethylbenzene

1-iodo-2,3-dimethylbenzene

CAS: 31599-60-7

Formula: C8H9I

SMILES: CC1=C(C)C(I)=CC=C1

IUPAC: 1-iodo-2,3-dimethylbenzene

InChI: InChI=1S/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

Composition: C (41.41%), H (3.91%), I (54.69%)

Molar Mass: 232.064

Atom Count: 18

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.9749
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey DANMWBNOPFBJSZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.5
Topological Polar Surface Area 0
Polarizability 18.92
Ring Count 1
Rotatable Bond Count 0

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