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878199-42-9 | 1H-Naphtho[2,1-b]pyran-1-one,2-iodo-3-phenyl-
CAS No: 878199-42-9 Catalog No: AG004HEJ MDL No:
Product Description
Catalog Number:
AG004HEJ
Chemical Name:
1H-Naphtho[2,1-b]pyran-1-one,2-iodo-3-phenyl-
CAS Number:
878199-42-9
Molecular Formula:
C19H11IO2
Molecular Weight:
398.1939
IUPAC Name:
2-iodo-3-phenylbenzo[f]chromen-1-one
InChI:
InChI=1S/C19H11IO2/c20-17-18(21)16-14-9-5-4-6-12(14)10-11-15(16)22-19(17)13-7-2-1-3-8-13/h1-11H
InChI Key:
FPZJUIJHGNXYIF-UHFFFAOYSA-N
SMILES:
Ic1c(oc2c(c1=O)c1ccccc1cc2)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.98g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.199g/mol
Monoisotopic Mass:
397.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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