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161321-73-9 | Benzoic acid, 2-iodo-3-(phenylmethoxy)-, methyl ester
CAS No: 161321-73-9 Catalog No: AG001SCB MDL No:
Product Description
Catalog Number:
AG001SCB
Chemical Name:
Benzoic acid, 2-iodo-3-(phenylmethoxy)-, methyl ester
CAS Number:
161321-73-9
Molecular Formula:
C15H13IO3
Molecular Weight:
368.1664
IUPAC Name:
methyl 2-iodo-3-phenylmethoxybenzoate
InChI:
InChI=1S/C15H13IO3/c1-18-15(17)12-8-5-9-13(14(12)16)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChI Key:
COMZHRKBBYGOSA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1I)OCc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.17g/mol
Monoisotopic Mass:
367.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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