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3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide

3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide

CAS: 5260-37-7

Formula: C10H12INO

SMILES: [I-].CC[N+]1=C(C)OC2=CC=CC=C12

IUPAC: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide

InChI: InChI=1S/C10H12NO.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1

Composition: C (41.54%), H (4.18%), I (43.89%), N (4.84%), O (5.53%)

Molar Mass: 289.116

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 288.99636
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey UZWYLWSUBQEUMC-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 57.87
Topological Polar Surface Area 17.02
Polarizability 19.48
Ring Count 2
Rotatable Bond Count 1

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