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139623-38-4 | Borane, 1,3-phenylenebis[bis(2,4,6-trimethylphenyl)- (9CI)
CAS No: 139623-38-4 Catalog No: AG001BE0 MDL No:
Product Description
Catalog Number:
AG001BE0
Chemical Name:
Borane, 1,3-phenylenebis[bis(2,4,6-trimethylphenyl)- (9CI)
CAS Number:
139623-38-4
Molecular Formula:
C42H48B2
Molecular Weight:
574.4525
IUPAC Name:
[3-bis(2,4,6-trimethylphenyl)boranylphenyl]-bis(2,4,6-trimethylphenyl)borane
InChI:
InChI=1S/C42H48B2/c1-25-16-29(5)39(30(6)17-25)43(40-31(7)18-26(2)19-32(40)8)37-14-13-15-38(24-37)44(41-33(9)20-27(3)21-34(41)10)42-35(11)22-28(4)23-36(42)12/h13-24H,1-12H3
InChI Key:
CFEDFOSLXKRTEO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1B(c1c(C)cc(cc1C)C)c1cccc(c1)B(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.394g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.466g/mol
Monoisotopic Mass:
574.394g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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