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877129-21-0 | 1H-Pyrazole, 3-[2-(diphenylphosphino)phenyl]-
CAS No: 877129-21-0 Catalog No: AG004GHG MDL No:
Product Description
Catalog Number:
AG004GHG
Chemical Name:
1H-Pyrazole, 3-[2-(diphenylphosphino)phenyl]-
CAS Number:
877129-21-0
Molecular Formula:
C21H17N2P
Molecular Weight:
328.3468
IUPAC Name:
diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane
InChI:
InChI=1S/C21H17N2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)21-14-8-7-13-19(21)20-15-16-22-23-20/h1-16H,(H,22,23)
InChI Key:
HMMSIADJAUBCEQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(c1ccccc1c1cc[nH]n1)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.355g/mol
Monoisotopic Mass:
328.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Variable coordination behaviour of pyrazole-containing N,P and N,P(O) ligands towards palladium(II). | Dalton transactions (Cambridge, England : 2003) 20070714 |
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