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Home > Boronic Acids > 618442-57-2
618442-57-2 | 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS No: 618442-57-2 Catalog No: AG00EJSE MDL No:MFCD28015750
Product Description
Catalog Number:
AG00EJSE
Chemical Name:
9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS Number:
618442-57-2
Molecular Formula:
C30H35B2NO4
Molecular Weight:
495.2252
MDL Number:
MFCD28015750
IUPAC Name:
9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
InChI:
InChI=1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22/h9-19H,1-8H3
InChI Key:
BMKVLWGCSCKZTD-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)c1cc(ccc1n2c1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.275g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.233g/mol
Monoisotopic Mass:
495.275g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 9-Phenyl-3,6-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole. | Acta crystallographica. Section E, Structure reports online 20110801 |
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