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89029-27-6 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3-bis(diphenylphosphino)-
CAS No: 89029-27-6 Catalog No: AG00442F MDL No:
Product Description
Catalog Number:
AG00442F
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3-bis(diphenylphosphino)-
CAS Number:
89029-27-6
Molecular Formula:
C28H21BrN2O2P2
Molecular Weight:
559.3301
IUPAC Name:
5-bromo-1,3-bis(diphenylphosphanyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C28H21BrN2O2P2/c29-26-21-30(34(22-13-5-1-6-14-22)23-15-7-2-8-16-23)28(33)31(27(26)32)35(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
InChI Key:
VSITZAQSWALQFG-UHFFFAOYSA-N
SMILES:
O=c1n(cc(c(=O)n1P(c1ccccc1)c1ccccc1)Br)P(c1ccccc1)c1ccccc1
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.026g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
559.34g/mol
Monoisotopic Mass:
558.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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