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874130-57-1 | Benzoic acid, 2-iodo-3-methoxy-5-methyl-, 4-methoxyphenyl ester
CAS No: 874130-57-1 Catalog No: AG004N5D MDL No:
Product Description
Catalog Number:
AG004N5D
Chemical Name:
Benzoic acid, 2-iodo-3-methoxy-5-methyl-, 4-methoxyphenyl ester
CAS Number:
874130-57-1
Molecular Formula:
C16H15IO4
Molecular Weight:
398.1924
IUPAC Name:
(4-methoxyphenyl) 2-iodo-3-methoxy-5-methylbenzoate
InChI:
InChI=1S/C16H15IO4/c1-10-8-13(15(17)14(9-10)20-3)16(18)21-12-6-4-11(19-2)5-7-12/h4-9H,1-3H3
InChI Key:
KECAEPYLLGIMQX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1cc(C)cc(c1I)OC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.196g/mol
Monoisotopic Mass:
398.002g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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