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4-iodo-5-methyl-1,2-oxazole-3-carboxylic acid

4-iodo-5-methyl-1,2-oxazole-3-carboxylic acid

CAS: 1822855-70-8

Formula: C5H4INO3

SMILES: CC1=C(I)C(=NO1)C(O)=O

IUPAC: 4-iodo-5-methyl-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C5H4INO3/c1-2-3(6)4(5(8)9)7-10-2/h1H3,(H,8,9)

Composition: C (23.74%), H (1.59%), I (50.16%), N (5.54%), O (18.97%)

Molar Mass: 252.995

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.92359
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BQQXHJQCZGIIBM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.9
Topological Polar Surface Area 63.33
Polarizability 16.17
Ring Count 1
Rotatable Bond Count 1

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