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Home > Imidazoles > 826990-92-5
826990-92-5 | 1H-Imidazolium, 1,3-bis[[2-(diphenylphosphino)phenyl]methyl]-, chloride
CAS No: 826990-92-5 Catalog No: AG008JUS MDL No:
Product Description
Catalog Number:
AG008JUS
Chemical Name:
1H-Imidazolium, 1,3-bis[[2-(diphenylphosphino)phenyl]methyl]-, chloride
CAS Number:
826990-92-5
Molecular Formula:
C41H37ClN2P2
Molecular Weight:
655.1464
IUPAC Name:
[2-[[1-[(2-diphenylphosphanylphenyl)methyl]-1,2-dihydroimidazol-1-ium-3-yl]methyl]phenyl]-diphenylphosphane;chloride
InChI:
InChI=1S/C41H36N2P2.ClH/c1-5-19-36(20-6-1)44(37-21-7-2-8-22-37)40-27-15-13-17-34(40)31-42-29-30-43(33-42)32-35-18-14-16-28-41(35)45(38-23-9-3-10-24-38)39-25-11-4-12-26-39;/h1-30H,31-33H2;1H
InChI Key:
MXBDVZLOOYIMPW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(c1ccccc1CN1C=C[NH+](C1)Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.212g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
655.159g/mol
Monoisotopic Mass:
654.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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