1-tert-butyl-2-iodobenzene

1-tert-butyl-2-iodobenzene

CAS: 62171-59-9

Formula: C10H13I

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

IUPAC: 1-tert-butyl-2-iodobenzene

InChI: InChI=1S/C10H13I/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3

Composition: C (46.18%), H (5.04%), I (48.79%)

Molar Mass: 260.118

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.0062
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	MMFGMLZMUNVLHD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.09
Topological Polar Surface Area	0
Polarizability	22.63
Ring Count	1
Rotatable Bond Count	1

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