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877129-26-5 | 1H-Pyrazole, 3-[3-(diphenylphosphinyl)phenyl]-
CAS No: 877129-26-5 Catalog No: AG004NBS MDL No:
Product Description
Catalog Number:
AG004NBS
Chemical Name:
1H-Pyrazole, 3-[3-(diphenylphosphinyl)phenyl]-
CAS Number:
877129-26-5
Molecular Formula:
C21H17N2OP
Molecular Weight:
344.3462
IUPAC Name:
5-(3-diphenylphosphorylphenyl)-1H-pyrazole
InChI:
InChI=1S/C21H17N2OP/c24-25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-13-7-8-17(16-20)21-14-15-22-23-21/h1-16H,(H,22,23)
InChI Key:
DNLOZOKHRWVHFW-UHFFFAOYSA-N
SMILES:
O=P(c1cccc(c1)c1n[nH]cc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.108g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.354g/mol
Monoisotopic Mass:
344.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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