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68903-74-2 | 2H-1-Benzopyran-2-one, 3-iodo-4-phenoxy-
CAS No: 68903-74-2 Catalog No: AG0060R3 MDL No:
Product Description
Catalog Number:
AG0060R3
Chemical Name:
2H-1-Benzopyran-2-one, 3-iodo-4-phenoxy-
CAS Number:
68903-74-2
Molecular Formula:
C15H9IO3
Molecular Weight:
364.1346
IUPAC Name:
3-iodo-4-phenoxychromen-2-one
InChI:
InChI=1S/C15H9IO3/c16-13-14(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)17/h1-9H
InChI Key:
CBRHBRGPGPQQCL-UHFFFAOYSA-N
SMILES:
Ic1c(=O)oc2c(c1Oc1ccccc1)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.96g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.138g/mol
Monoisotopic Mass:
363.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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