Cas no 1290630-80-6 (1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene)

1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene structure
1290630-80-6 structure
Product Name:1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene
CAS No:1290630-80-6
MF:C42H33B3O6
MW:666.140831708908
CID:4729422
Update Time:2023-08-16

1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene
    • B,B'-[5''-(4'-Borono[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diyl]bis-
    • CID 101781819
    • YSZC511
    • Boronic acid, B,?B'-?[5''-?(4'-?borono[1,?1'-?biphenyl]?-?4-?yl)?[1,?1':4',?1'':3'',?1''':4''',?1''''-?quinquephenyl]?-?4,?4''''-?diyl]?bis-
    • Inchi: 1S/C42H33B3O6/c46-43(47)40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(22-16-32)44(48)49)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(24-18-33)45(50)51/h1-27,46-51H
    • InChI Key: JMQRJBCQEULTTG-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1C=CC(=CC=1)C1C=C(C2C=CC(C3C=CC(B(O)O)=CC=3)=CC=2)C=C(C2C=CC(C3C=CC(B(O)O)=CC=3)=CC=2)C=1)O

Computed Properties

  • Exact Mass: 666.2556293 g/mol
  • Monoisotopic Mass: 666.2556293 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 9
  • Complexity: 875
  • 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: 121
  • Molecular Weight: 666.1

1,3,5-Tris[4'-(dihydroxyboryl)-4-biphenylyl]benzene Pricemore >>

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SHANG HAI KAI SHU HUA XUE Technology Co., Ltd.
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Boronic acid, B,B'-[5''-(4'-borono[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diyl]bis-
1290630-80-6 95%
500mg
¥4500 2023-11-08
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