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Home > Indoles and Oxindole > 1909305-25-4
1909305-25-4 | 2-[(1-ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1909305-25-4 Catalog No: AG01C2ZF MDL No:MFCD29762762
Product Description
Catalog Number:
AG01C2ZF
Chemical Name:
2-[(1-ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1909305-25-4
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
MDL Number:
MFCD29762762
IUPAC Name:
2-[(3-ethyl-5-methyltriazol-4-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H14N4O2/c1-3-18-12(9(2)15-16-18)8-17-13(19)10-6-4-5-7-11(10)14(17)20/h4-7H,3,8H2,1-2H3
InChI Key:
YMUXYDTYGOSHOT-UHFFFAOYSA-N
SMILES:
CCn1nnc(c1CN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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