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Home > Nitro Compounds > 100204-57-7
100204-57-7 | 1,3,5,2-Dioxaphosphaborinane, 4,6-bis(4-nitrophenyl)-2,5-diphenyl-
CAS No: 100204-57-7 Catalog No: AG00018S MDL No:
Product Description
Catalog Number:
AG00018S
Chemical Name:
1,3,5,2-Dioxaphosphaborinane, 4,6-bis(4-nitrophenyl)-2,5-diphenyl-
CAS Number:
100204-57-7
Molecular Formula:
C26H20BN2O6P
Molecular Weight:
498.2316
IUPAC Name:
4,6-bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane
InChI:
InChI=1S/C26H20BN2O6P/c30-28(31)22-15-11-19(12-16-22)25-34-27(21-7-3-1-4-8-21)35-26(36(25)24-9-5-2-6-10-24)20-13-17-23(18-14-20)29(32)33/h1-18,25-26H
InChI Key:
BPLFGUPJIJGBTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OB(OC(P1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.115g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.238g/mol
Monoisotopic Mass:
498.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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