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419540-74-2 | 3-(4-IODOPHENYL)-6-METHOXY-2H-CHROMEN-2-ONE
CAS No: 419540-74-2 Catalog No: AG007465 MDL No:MFCD01179328
Product Description
Catalog Number:
AG007465
Chemical Name:
3-(4-IODOPHENYL)-6-METHOXY-2H-CHROMEN-2-ONE
CAS Number:
419540-74-2
Molecular Formula:
C16H11IO3
Molecular Weight:
378.1612
MDL Number:
MFCD01179328
IUPAC Name:
3-(4-iodophenyl)-6-methoxychromen-2-one
InChI:
InChI=1S/C16H11IO3/c1-19-13-6-7-15-11(8-13)9-14(16(18)20-15)10-2-4-12(17)5-3-10/h2-9H,1H3
InChI Key:
PEYSLQYEZAXDJM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)I
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.975g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.165g/mol
Monoisotopic Mass:
377.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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