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87931-11-1 | 3(2H)-Benzofuranone, 2-[(4-chlorophenyl)methylene]-6-methoxy-
CAS No: 87931-11-1 Catalog No: AG004GSR MDL No:
Product Description
Catalog Number:
AG004GSR
Chemical Name:
3(2H)-Benzofuranone, 2-[(4-chlorophenyl)methylene]-6-methoxy-
CAS Number:
87931-11-1
Molecular Formula:
C16H11ClO3
Molecular Weight:
286.7097
IUPAC Name:
2-[(4-chlorophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
InChI:
InChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(9-12)20-15(16(13)18)8-10-2-4-11(17)5-3-10/h2-9H,1H3
InChI Key:
VWGPEPCJDXBXEM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(=Cc1ccc(cc1)Cl)C2=O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.711g/mol
Monoisotopic Mass:
286.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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