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Home > Indoles and Oxindole > 1240574-51-9
1240574-51-9 | 2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1240574-51-9 Catalog No: AG00JV17 MDL No:MFCD16810702
Product Description
Catalog Number:
AG00JV17
Chemical Name:
2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1240574-51-9
Molecular Formula:
C13H10N4O4
Molecular Weight:
286.2429
MDL Number:
MFCD16810702
IUPAC Name:
2-[2-(4-nitropyrazol-1-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H10N4O4/c18-12-10-3-1-2-4-11(10)13(19)16(12)6-5-15-8-9(7-14-15)17(20)21/h1-4,7-8H,5-6H2
InChI Key:
OFFNOFLQWGQMCK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.247g/mol
Monoisotopic Mass:
286.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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