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92792-09-1 | N-(4-Iodophenyl)-2-oxo-2H-chromene-3-carboxamide
CAS No: 92792-09-1 Catalog No: AG01F9O3 MDL No:MFCD00728108
Product Description
Catalog Number:
AG01F9O3
Chemical Name:
N-(4-Iodophenyl)-2-oxo-2H-chromene-3-carboxamide
CAS Number:
92792-09-1
Molecular Formula:
C16H10INO3
Molecular Weight:
391.1600
MDL Number:
MFCD00728108
IUPAC Name:
N-(4-iodophenyl)-2-oxochromene-3-carboxamide
InChI:
InChI=1S/C16H10INO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChI Key:
NRQJGVGVCDKKAK-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NC(=O)c1cc2ccccc2oc1=O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.971g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.164g/mol
Monoisotopic Mass:
390.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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