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1823953-03-2 | 5-Oxazolecarboxylic acid, 2-iodo-4-methyl-, methyl ester
CAS No: 1823953-03-2 Catalog No: AG0023TN MDL No:
Product Description
Catalog Number:
AG0023TN
Chemical Name:
5-Oxazolecarboxylic acid, 2-iodo-4-methyl-, methyl ester
CAS Number:
1823953-03-2
Molecular Formula:
C6H6INO3
Molecular Weight:
267.0212
IUPAC Name:
methyl 2-iodo-4-methyl-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C6H6INO3/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3
InChI Key:
DQWNNHXUEGERQV-UHFFFAOYSA-N
SMILES:
Cc1nc(oc1C(=O)OC)I
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.939g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.022g/mol
Monoisotopic Mass:
266.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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