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Home > Indoles and Oxindole > 1006570-21-3
1006570-21-3 | 2-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1006570-21-3 Catalog No: AG00JUZ1 MDL No:MFCD02029272
Product Description
Catalog Number:
AG00JUZ1
Chemical Name:
2-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1006570-21-3
Molecular Formula:
C14H12N4O4
Molecular Weight:
300.2695
MDL Number:
MFCD02029272
IUPAC Name:
2-[3-(3-nitropyrazol-1-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N4O4/c19-13-10-4-1-2-5-11(10)14(20)17(13)8-3-7-16-9-6-12(15-16)18(21)22/h1-2,4-6,9H,3,7-8H2
InChI Key:
IRQDZYZZBPIGFY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.274g/mol
Monoisotopic Mass:
300.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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