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406470-67-5 | methyl 5-[(4-iodophenoxy)methyl]-2-furoate
CAS No: 406470-67-5 Catalog No: AG00JK8J MDL No:MFCD02253889
Product Description
Catalog Number:
AG00JK8J
Chemical Name:
methyl 5-[(4-iodophenoxy)methyl]-2-furoate
CAS Number:
406470-67-5
Molecular Formula:
C13H11IO4
Molecular Weight:
358.1285
MDL Number:
MFCD02253889
IUPAC Name:
methyl 5-[(4-iodophenoxy)methyl]furan-2-carboxylate
InChI:
InChI=1S/C13H11IO4/c1-16-13(15)12-7-6-11(18-12)8-17-10-4-2-9(14)3-5-10/h2-7H,8H2,1H3
InChI Key:
DDQUAZSXJXQHKN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)COc1ccc(cc1)I
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.97g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.131g/mol
Monoisotopic Mass:
357.97g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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