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25229-74-7 | 2H-1-Benzopyran-2-one, 3-(4-iodophenyl)-
CAS No: 25229-74-7 Catalog No: AG002QZA MDL No:MFCD01179324
Product Description
Catalog Number:
AG002QZA
Chemical Name:
2H-1-Benzopyran-2-one, 3-(4-iodophenyl)-
CAS Number:
25229-74-7
Molecular Formula:
C15H9IO2
Molecular Weight:
348.1352
MDL Number:
MFCD01179324
IUPAC Name:
3-(4-iodophenyl)chromen-2-one
InChI:
InChI=1S/C15H9IO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChI Key:
SECODLMNIMINDN-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1cc2ccccc2oc1=O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.965g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.139g/mol
Monoisotopic Mass:
347.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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