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21120-76-3 | Benzoic acid, 4-(4-iodophenoxy)-, methyl ester
CAS No: 21120-76-3 Catalog No: AG002L7L MDL No:MFCD00496637
Product Description
Catalog Number:
AG002L7L
Chemical Name:
Benzoic acid, 4-(4-iodophenoxy)-, methyl ester
CAS Number:
21120-76-3
Molecular Formula:
C14H11IO3
Molecular Weight:
354.1398
MDL Number:
MFCD00496637
IUPAC Name:
methyl 4-(4-iodophenoxy)benzoate
InChI:
InChI=1S/C14H11IO3/c1-17-14(16)10-2-6-12(7-3-10)18-13-8-4-11(15)5-9-13/h2-9H,1H3
InChI Key:
GYYOBKIQEKKCMS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1ccc(cc1)I
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.975g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.143g/mol
Monoisotopic Mass:
353.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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