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Home > Boronic Acids > 7330-44-1
7330-44-1 | tetrabutyl benzene-1,3-diylbisboronate
CAS No: 7330-44-1 Catalog No: AG005P6J MDL No:
Product Description
Catalog Number:
AG005P6J
Chemical Name:
tetrabutyl benzene-1,3-diylbisboronate
CAS Number:
7330-44-1
Molecular Formula:
C22H40B2O4
Molecular Weight:
390.1726
IUPAC Name:
dibutoxy-(3-dibutoxyboranylphenyl)borane
InChI:
InChI=1S/C22H40B2O4/c1-5-9-16-25-23(26-17-10-6-2)21-14-13-15-22(20-21)24(27-18-11-7-3)28-19-12-8-4/h13-15,20H,5-12,16-19H2,1-4H3
InChI Key:
MYKBPIMMYBFEJM-UHFFFAOYSA-N
SMILES:
CCCCOB(c1cccc(c1)B(OCCCC)OCCCC)OCCCC
NSC Number:
115631
Properties
Complexity:
297
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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