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Home > Boronic Acids > 406726-92-9
406726-92-9 | 9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS No: 406726-92-9 Catalog No: AG00CKP1 MDL No:MFCD23703114
Product Description
Catalog Number:
AG00CKP1
Chemical Name:
9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS Number:
406726-92-9
Molecular Formula:
C32H47B2NO4
Molecular Weight:
531.3419
MDL Number:
MFCD23703114
IUPAC Name:
9-octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
InChI:
InChI=1S/C32H47B2NO4/c1-10-11-12-13-14-15-20-35-27-21-23(33-36-29(2,3)30(4,5)37-33)16-18-25(27)26-19-17-24(22-28(26)35)34-38-31(6,7)32(8,9)39-34/h16-19,21-22H,10-15,20H2,1-9H3
InChI Key:
XVVSDGVWSRLSDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.369g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
531.351g/mol
Monoisotopic Mass:
531.369g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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