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Home > Boronic Acids > 2449-19-6
2449-19-6 | Boronic acid, B,B'-1,4-phenylenebis-, B,B,B',B'-tetrabutyl ester
CAS No: 2449-19-6 Catalog No: AG002OBO MDL No:
Product Description
Catalog Number:
AG002OBO
Chemical Name:
Boronic acid, B,B'-1,4-phenylenebis-, B,B,B',B'-tetrabutyl ester
CAS Number:
2449-19-6
Molecular Formula:
C22H40B2O4
Molecular Weight:
390.1726
IUPAC Name:
dibutoxy-(4-dibutoxyboranylphenyl)borane
InChI:
InChI=1S/C22H40B2O4/c1-5-9-17-25-23(26-18-10-6-2)21-13-15-22(16-14-21)24(27-19-11-7-3)28-20-12-8-4/h13-16H,5-12,17-20H2,1-4H3
InChI Key:
WVVLCYRUHHDNQQ-UHFFFAOYSA-N
SMILES:
CCCCOB(c1ccc(cc1)B(OCCCC)OCCCC)OCCCC
NSC Number:
115628
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.311g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.178g/mol
Monoisotopic Mass:
390.311g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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