2-iodo-5-methylbenzene-1,3-diol

2-iodo-5-methylbenzene-1,3-diol

CAS: 112639-11-9

Formula: C7H7IO2

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

IUPAC: 2-iodo-5-methylbenzene-1,3-diol

InChI: InChI=1S/C7H7IO2/c1-4-2-5(9)7(8)6(10)3-4/h2-3,9-10H,1H3

Composition: C (33.63%), H (2.82%), I (50.75%), O (12.80%)

Molar Mass: 250.035

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.94907
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RTZQIVNJKIGDGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.42
Topological Polar Surface Area	40.46
Polarizability	18.6
Ring Count	1
Rotatable Bond Count	0

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