2-iodo-4,5-dimethoxybenzaldehyde

2-iodo-4,5-dimethoxybenzaldehyde

CAS: 61203-53-0

Formula: C9H9IO3

SMILES: COC1=CC(I)=C(C=O)C=C1OC

IUPAC: 2-iodo-4,5-dimethoxybenzaldehyde

InChI: InChI=1S/C9H9IO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3

Composition: C (37.01%), H (3.11%), I (43.45%), O (16.43%)

Molar Mass: 292.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.95964
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SPKQIKMTTNYPHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.93
Topological Polar Surface Area	35.53
Polarizability	22.55
Ring Count	1
Rotatable Bond Count	3

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