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Home > Indoles and Oxindole > 1803592-78-0
1803592-78-0 | 2-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1803592-78-0 Catalog No: AG01AD57 MDL No:MFCD27980636
Product Description
Catalog Number:
AG01AD57
Chemical Name:
2-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1803592-78-0
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
MDL Number:
MFCD27980636
IUPAC Name:
2-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H12N4O2/c1-8(11-14-7-15-16(11)2)17-12(18)9-5-3-4-6-10(9)13(17)19/h3-8H,1-2H3
InChI Key:
RRIWRXMWZALBKN-UHFFFAOYSA-N
SMILES:
CC(c1ncnn1C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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