Cas no 62981-91-3 (Borinic acid, di-1-naphthalenyl-)
62981-91-3 structure
Product Name:Borinic acid, di-1-naphthalenyl-
CAS No:62981-91-3
MF:C20H15BO
MW:282.143505334854
CID:427877
PubChem ID:12591412
Update Time:2025-04-19
Borinic acid, di-1-naphthalenyl- Chemical and Physical Properties
Names and Identifiers
-
- Borinic acid, di-1-naphthalenyl-
- dinaphthalen-1-ylborinic acid
- DTXSID20503624
- SCHEMBL5571942
- 62981-91-3
- di-a-naphthylboric acid
-
- Inchi： 1S/C20H15BO/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,22H
- InChI Key： JZZJOBIELUXIGQ-UHFFFAOYSA-N
- SMILES： OB(C1=CC=CC2C=CC=CC1=2)C1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 281.12525
- Monoisotopic Mass: 282.1215953g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 337
- 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
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Borinic acid, di-1-naphthalenyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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