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Home > Indoles and Oxindole > 1803610-55-0
1803610-55-0 | 2-[1-(1H-1,2,4-triazol-3-yl)cyclobutyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1803610-55-0 Catalog No: AG01AFFQ MDL No:MFCD27980639
Product Description
Catalog Number:
AG01AFFQ
Chemical Name:
2-[1-(1H-1,2,4-triazol-3-yl)cyclobutyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1803610-55-0
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
MDL Number:
MFCD27980639
IUPAC Name:
2-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N4O2/c19-11-9-4-1-2-5-10(9)12(20)18(11)14(6-3-7-14)13-15-8-16-17-13/h1-2,4-5,8H,3,6-7H2,(H,15,16,17)
InChI Key:
FDGCUZFWBJLCFK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1C1(CCC1)c1n[nH]cn1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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