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80975-11-7 | 1(3H)-Isobenzofuranone, 3-[1,1'-biphenyl]-4-yl-3-chloro-
CAS No: 80975-11-7 Catalog No: AG005HUS MDL No:
Product Description
Catalog Number:
AG005HUS
Chemical Name:
1(3H)-Isobenzofuranone, 3-[1,1'-biphenyl]-4-yl-3-chloro-
CAS Number:
80975-11-7
Molecular Formula:
C20H13ClO2
Molecular Weight:
320.7690
IUPAC Name:
3-chloro-3-(4-phenylphenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C20H13ClO2/c21-20(18-9-5-4-8-17(18)19(22)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChI Key:
WEFVAOWQWWFBFA-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(Cl)c1ccc(cc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.06g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.772g/mol
Monoisotopic Mass:
320.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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