Cas no 51850-45-4 (Isobenzofuran, 1,7-diphenyl-)
Isobenzofuran, 1,7-diphenyl- structure
Product Name:Isobenzofuran, 1,7-diphenyl-
CAS No:51850-45-4
MF:C20H14O
MW:270.324565410614
CID:361245
PubChem ID:71365944
Update Time:2025-04-19
Isobenzofuran, 1,7-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran, 1,7-diphenyl-
- 1,7-diphenyl-2-benzofuran
- DTXSID60789324
- 1,7-Diphenylisobenzofuran
- 51850-45-4
-
- Inchi： 1S/C20H14O/c1-3-8-15(9-4-1)18-13-7-12-17-14-21-20(19(17)18)16-10-5-2-6-11-16/h1-14H
- InChI Key： KBLACNHSZJILDL-UHFFFAOYSA-N
- SMILES： O1C=C2C=CC=C(C3C=CC=CC=3)C2=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 270.10452
- Monoisotopic Mass: 270.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 327
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- PSA: 13.14
Isobenzofuran, 1,7-diphenyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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