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50699-18-8 | 2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione
CAS No: 50699-18-8 Catalog No: AG01EC2J MDL No:
Product Description
Catalog Number:
AG01EC2J
Chemical Name:
2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione
CAS Number:
50699-18-8
IUPAC Name:
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H17N3O2/c1-13-18(14(2)23(21-13)15-8-4-3-5-9-15)12-22-19(24)16-10-6-7-11-17(16)20(22)25/h3-11H,12H2,1-2H3
InChI Key:
ZGSDSSSXCKXCTQ-UHFFFAOYSA-N
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.375g/mol
Monoisotopic Mass:
331.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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