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253870-90-5 | Boronic acid, (7-bromo-9,9-dioctyl-9H-fluoren-2-yl)-
CAS No: 253870-90-5 Catalog No: AG007NBQ MDL No:
Product Description
Catalog Number:
AG007NBQ
Chemical Name:
Boronic acid, (7-bromo-9,9-dioctyl-9H-fluoren-2-yl)-
CAS Number:
253870-90-5
Molecular Formula:
C29H42BBrO2
Molecular Weight:
513.3576
IUPAC Name:
(7-bromo-9,9-dioctylfluoren-2-yl)boronic acid
InChI:
InChI=1S/C29H42BBrO2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30(32)33)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22,32-33H,3-14,19-20H2,1-2H3
InChI Key:
ZHFCXAWQKHMHML-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2c2c1cc(cc2)B(O)O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.246g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.367g/mol
Monoisotopic Mass:
512.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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