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114089-95-1 | 1H-Pyrazole, 4-(diphenylphosphinyl)-1-methyl-3-(1-methylethyl)-
CAS No: 114089-95-1 Catalog No: AG000AIL MDL No:
Product Description
Catalog Number:
AG000AIL
Chemical Name:
1H-Pyrazole, 4-(diphenylphosphinyl)-1-methyl-3-(1-methylethyl)-
CAS Number:
114089-95-1
Molecular Formula:
C19H21N2OP
Molecular Weight:
324.3566
IUPAC Name:
4-diphenylphosphoryl-1-methyl-3-propan-2-ylpyrazole
InChI:
InChI=1S/C19H21N2OP/c1-15(2)19-18(14-21(3)20-19)23(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChI Key:
RCHBRPQIMVFQKL-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)P(=O)(c1ccccc1)c1ccccc1)C(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.364g/mol
Monoisotopic Mass:
324.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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