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Home > Indoles and Oxindole > 121751-71-1
121751-71-1 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-pyrazol-1-yl)ethyl]-
CAS No: 121751-71-1 Catalog No: AG0015TC MDL No:MFCD18785315
Product Description
Catalog Number:
AG0015TC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-pyrazol-1-yl)ethyl]-
CAS Number:
121751-71-1
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD18785315
IUPAC Name:
2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O2/c17-12-10-4-1-2-5-11(10)13(18)16(12)9-8-15-7-3-6-14-15/h1-7H,8-9H2
InChI Key:
HJJKOBITSBBKBP-UHFFFAOYSA-N
SMILES:
O=C1N(CCn2cccn2)C(=O)c2c1cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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