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5260-37-7 | 3-Ethyl-2-methylbenzo[d]oxazol-3-ium iodide
CAS No: 5260-37-7 Catalog No: AG003JEA MDL No:MFCD00044141
Product Description
Catalog Number:
AG003JEA
Chemical Name:
3-Ethyl-2-methylbenzo[d]oxazol-3-ium iodide
CAS Number:
5260-37-7
Molecular Formula:
C10H12INO
Molecular Weight:
289.1129
MDL Number:
MFCD00044141
IUPAC Name:
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
InChI Key:
UZWYLWSUBQEUMC-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C)oc2c1cccc2.[I-]
EC Number:
226-068-3
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.116g/mol
Monoisotopic Mass:
288.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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