3-iodobenzoic acid

3-iodobenzoic acid

CAS: 618-51-9

Formula: C7H5IO2

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

IUPAC: 3-iodobenzoic acid

InChI: InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

Composition: C (33.90%), H (2.03%), I (51.17%), O (12.90%)

Molar Mass: 248.019

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.93342
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KVBWBCRPWVKFQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.68
Topological Polar Surface Area	37.3
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	1

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