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1269461-73-5 | Benzoic acid, 5-iodo-2-[2-(methoxycarbonyl)phenoxy]-, methyl ester
CAS No: 1269461-73-5 Catalog No: AG000WG2 MDL No:MFCD17015021
Product Description
Catalog Number:
AG000WG2
Chemical Name:
Benzoic acid, 5-iodo-2-[2-(methoxycarbonyl)phenoxy]-, methyl ester
CAS Number:
1269461-73-5
Molecular Formula:
C16H13IO5
Molecular Weight:
412.1759
MDL Number:
MFCD17015021
IUPAC Name:
methyl 5-iodo-2-(2-methoxycarbonylphenoxy)benzoate
InChI:
InChI=1S/C16H13IO5/c1-20-15(18)11-5-3-4-6-13(11)22-14-8-7-10(17)9-12(14)16(19)21-2/h3-9H,1-2H3
InChI Key:
XPFMPAVNFWOMSR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1Oc1ccc(cc1C(=O)OC)I
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.981g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.179g/mol
Monoisotopic Mass:
411.981g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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