200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 89587-16-6
89587-16-6 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(1H-indazol-3-yl)-4-oxobutyl]-
CAS No: 89587-16-6 Catalog No: AG003XT6 MDL No:
Product Description
Catalog Number:
AG003XT6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(1H-indazol-3-yl)-4-oxobutyl]-
CAS Number:
89587-16-6
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
IUPAC Name:
2-[4-(1H-indazol-3-yl)-4-oxobutyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H15N3O3/c23-16(17-14-8-3-4-9-15(14)20-21-17)10-5-11-22-18(24)12-6-1-2-7-13(12)19(22)25/h1-4,6-9H,5,10-11H2,(H,20,21)
InChI Key:
QJZBOGMFONWCRP-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c2c1cccc2)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.