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Home > Boronic Acids > 448955-87-1
448955-87-1 | 9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS No: 448955-87-1 Catalog No: AG00DL9N MDL No:MFCD23703115
Product Description
Catalog Number:
AG00DL9N
Chemical Name:
9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS Number:
448955-87-1
Molecular Formula:
C32H47B2NO4
Molecular Weight:
531.3419
MDL Number:
MFCD23703115
IUPAC Name:
9-(2-ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
InChI:
InChI=1S/C32H47B2NO4/c1-11-13-14-22(12-2)21-35-27-17-15-23(33-36-29(3,4)30(5,6)37-33)19-25(27)26-20-24(16-18-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-20,22H,11-14,21H2,1-10H3
InChI Key:
GSIDPIRTFOJNFV-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1c2ccc(cc2c2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CC
Properties
Complexity:
771
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:
8
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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