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1300026-63-4 | 2-Benzofurancarboxylic acid, 6-iodo-, methyl ester
CAS No: 1300026-63-4 Catalog No: AG000TVJ MDL No:
Product Description
Catalog Number:
AG000TVJ
Chemical Name:
2-Benzofurancarboxylic acid, 6-iodo-, methyl ester
CAS Number:
1300026-63-4
Molecular Formula:
C10H7IO3
Molecular Weight:
302.0652
IUPAC Name:
methyl 6-iodo-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H7IO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChI Key:
MKTDRIIDTXTGBH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)cc(cc2)I
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.067g/mol
Monoisotopic Mass:
301.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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