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189756-42-1 | Phosphine, tris[3,5-bis(1,1-dimethylethyl)phenyl]-
CAS No: 189756-42-1 Catalog No: AG002DXS MDL No:
Product Description
Catalog Number:
AG002DXS
Chemical Name:
Phosphine, tris[3,5-bis(1,1-dimethylethyl)phenyl]-
CAS Number:
189756-42-1
Molecular Formula:
C42H63P
Molecular Weight:
598.9234
IUPAC Name:
tris(3,5-ditert-butylphenyl)phosphane
InChI:
InChI=1S/C42H63P/c1-37(2,3)28-19-29(38(4,5)6)23-34(22-28)43(35-24-30(39(7,8)9)20-31(25-35)40(10,11)12)36-26-32(41(13,14)15)21-33(27-36)42(16,17)18/h19-27H,1-18H3
InChI Key:
KSWPSYBRTKSCKE-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1)C(C)(C)C)P(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.467g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
598.94g/mol
Monoisotopic Mass:
598.467g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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