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628333-86-8 | 1-[2-[BIS(TERT-BUTYL)PHOSPHINO]PHENYL]-3,5-DIPHENYL-1H-PYRAZOLE
CAS No: 628333-86-8 Catalog No: AG003DT3 MDL No:MFCD09038823
Product Description
Catalog Number:
AG003DT3
Chemical Name:
1-[2-[BIS(TERT-BUTYL)PHOSPHINO]PHENYL]-3,5-DIPHENYL-1H-PYRAZOLE
CAS Number:
628333-86-8
Molecular Formula:
C29H33N2P
Molecular Weight:
440.5595
MDL Number:
MFCD09038823
IUPAC Name:
ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane
InChI:
InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3
InChI Key:
JAIIBHBCNPAPPF-UHFFFAOYSA-N
SMILES:
CC(P(C(C)(C)C)c1ccccc1n1nc(cc1c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.238g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.571g/mol
Monoisotopic Mass:
440.238g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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