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15837-61-3 | 4H-1-Benzopyran-4-one, 2-(3-iodo-4-methoxyphenyl)-7-methoxy-
CAS No: 15837-61-3 Catalog No: AG001Q5S MDL No:
Product Description
Catalog Number:
AG001Q5S
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3-iodo-4-methoxyphenyl)-7-methoxy-
CAS Number:
15837-61-3
Molecular Formula:
C17H13IO4
Molecular Weight:
408.1872
IUPAC Name:
2-(3-iodo-4-methoxyphenyl)-7-methoxychromen-4-one
InChI:
InChI=1S/C17H13IO4/c1-20-11-4-5-12-14(19)9-16(22-17(12)8-11)10-3-6-15(21-2)13(18)7-10/h3-9H,1-2H3
InChI Key:
OUDWXPZHTKEPOR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)I)OC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.986g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.191g/mol
Monoisotopic Mass:
407.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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