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870480-82-3

870480-82-3 | 1,3,2-Benzodioxaborole, 2,2'-(2,5-dihexyl-1,4-phenylene)bis-

CAS No: 870480-82-3 Catalog No: AG004GJ6 MDL No:

Product Description

Catalog Number:
AG004GJ6
Chemical Name:
1,3,2-Benzodioxaborole, 2,2'-(2,5-dihexyl-1,4-phenylene)bis-
CAS Number:
870480-82-3
Molecular Formula:
C30H36B2O4
Molecular Weight:
482.2264
IUPAC Name:
2-[4-(1,3,2-benzodioxaborol-2-yl)-2,5-dihexylphenyl]-1,3,2-benzodioxaborole
InChI:
InChI=1S/C30H36B2O4/c1-3-5-7-9-15-23-21-26(32-35-29-19-13-14-20-30(29)36-32)24(16-10-8-6-4-2)22-25(23)31-33-27-17-11-12-18-28(27)34-31/h11-14,17-22H,3-10,15-16H2,1-2H3
InChI Key:
AFRZORHHRWTQJD-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(B2Oc3c(O2)cccc3)c(cc1B1Oc2c(O1)cccc2)CCCCCC

Properties

Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.28g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.234g/mol
Monoisotopic Mass:
482.28g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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