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6608-30-6 | 4-(3-iodophenyl)-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
CAS No: 6608-30-6 Catalog No: AG00H8KA MDL No:
Product Description
Catalog Number:
AG00H8KA
Chemical Name:
4-(3-iodophenyl)-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
CAS Number:
6608-30-6
Molecular Formula:
C18H12INO2
Molecular Weight:
401.1978
IUPAC Name:
4-(3-iodophenyl)-2-(2-phenylethenyl)-1,3-oxazin-6-one
InChI:
InChI=1S/C18H12INO2/c19-15-8-4-7-14(11-15)16-12-18(21)22-17(20-16)10-9-13-5-2-1-3-6-13/h1-12H
InChI Key:
KECSUPVLTJSSPX-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)c1nc(/C=C/c2ccccc2)oc(=O)c1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.991g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.203g/mol
Monoisotopic Mass:
400.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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