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87212-40-6 | Diphosphene, bis[2,4,6-tris(1,1-dimethylethyl)phenyl]-, 1-oxide
CAS No: 87212-40-6 Catalog No: AG004RQ8 MDL No:
Product Description
Catalog Number:
AG004RQ8
Chemical Name:
Diphosphene, bis[2,4,6-tris(1,1-dimethylethyl)phenyl]-, 1-oxide
CAS Number:
87212-40-6
Molecular Formula:
C36H60OP2
Molecular Weight:
570.8085
IUPAC Name:
oxo-(2,4,6-tritert-butylphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidene-λ5-phosphane
InChI:
InChI=1S/C36H58OP2/c1-31(2,3)23-19-25(33(7,8)9)29(26(20-23)34(10,11)12)38-39(37)30-27(35(13,14)15)21-24(32(4,5)6)22-28(30)36(16,17)18/h19-22H,1-18H3
InChI Key:
SHUGHMBZUQHOHH-UHFFFAOYSA-N
SMILES:
O=P(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
849
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.396g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.807g/mol
Monoisotopic Mass:
568.396g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
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