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2-iodo-5-methoxy-4-methylbenzoic acid

2-iodo-5-methoxy-4-methylbenzoic acid

Formula: C9H9IO3

SMILES: COC1=CC(C(O)=O)=C(I)C=C1C

IUPAC: 2-iodo-5-methoxy-4-methylbenzoic acid

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

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 1
InChIKey CGOKJBWFCMHJQQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.18
Topological Polar Surface Area 46.53
Polarizability 22.26
Ring Count 1
Rotatable Bond Count 2

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C9H9IO3 $454.25-$1,592.75$454.25$914.25$1,592.75
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