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116143-36-3 | 1(3H)-Isobenzofuranone, 3-(4-chlorophenyl)-3-(4-hydroxyphenyl)-
CAS No: 116143-36-3 Catalog No: AG000BR1 MDL No:
Product Description
Catalog Number:
AG000BR1
Chemical Name:
1(3H)-Isobenzofuranone, 3-(4-chlorophenyl)-3-(4-hydroxyphenyl)-
CAS Number:
116143-36-3
Molecular Formula:
C20H13ClO3
Molecular Weight:
336.7684
IUPAC Name:
3-(4-chlorophenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C20H13ClO3/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,22H
InChI Key:
XJPAWTTVSHOULL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)Cl
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.771g/mol
Monoisotopic Mass:
336.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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