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4-tert-butyl-3-iodobenzoic acid

4-tert-butyl-3-iodobenzoic acid

CAS: 91131-72-5

Formula: C11H13IO2

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

IUPAC: 4-tert-butyl-3-iodobenzoic acid

InChI: InChI=1S/C11H13IO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)

Composition: C (43.44%), H (4.31%), I (41.73%), O (10.52%)

Molar Mass: 304.127

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 303.99602
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKQXGGKRIINFTM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.34
Topological Polar Surface Area 37.3
Polarizability 25.1
Ring Count 1
Rotatable Bond Count 2

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