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Home > Indoles and Oxindole > 1423028-29-8
1423028-29-8 | 2-(1-benzyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1423028-29-8 Catalog No: AG01A23X MDL No:MFCD22578487
Product Description
Catalog Number:
AG01A23X
Chemical Name:
2-(1-benzyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1423028-29-8
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
MDL Number:
MFCD22578487
IUPAC Name:
2-(1-benzylpyrazol-4-yl)isoindole-1,3-dione
InChI:
InChI=1S/C18H13N3O2/c22-17-15-8-4-5-9-16(15)18(23)21(17)14-10-19-20(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChI Key:
XGSLFFUZXMQEMR-UHFFFAOYSA-N
SMILES:
O=C1N(c2cnn(c2)Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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